CTD Gene-Chemical Interactions Dataset

Description chemical-gene interactions curated from literature
Measurement association by literature curation
Association gene-chemical associations by manual literature curation
Category physical interactions
Resource Comparative Toxicogenomics Database
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Last Updated
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  1. 11125 genes
  2. 9516 chemicals
  3. 124344 gene-chemical associations

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chemical Gene Sets

9516 sets of genes/proteins interacting with chemicals from the curated CTD Gene-Chemical Interactions dataset.

Gene Set Description
10'(Z),13'(E),15'(E)-heptadecatrienylhydroquinone
Androstenediol
EXP3174
benzo(j)fluoranthene A naphthalene that has formula C20H12.
desflurane
acetophenazine
kaempferol-3-O-galactoside
NuvaRing
malvidin-3-O-glucoside-4 vinyl
Dendroaspis natriuretic peptide
alpha-naphthyl thiourea A naphthalene that has formula C11H10N2S.
19-oxo-11-deoxycorticosterone acetate
idelalisib A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia.
telmisartan
methyl 2-cyano-3,12-dioxoolean-1,9-dien-28-oate
lawsone 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis.
Glutathione
devrinol
WEB 2086
xaliproden A tetrahydropyridine that has formula C24H22F3N.
dimethoxon
4,4'-dimethylbiphenyl
Cyclic ADP-Ribose A cyclic purine nucleotide that is synthesised from NAD+ by ADP-ribosyl cyclase; acts as an agonist at ryanodine receptors.
Gliclazide
Methylergonovine
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
3-(hydroxymethyl)phenytoin
4-cyclohexyloxy-2-(1-(4-(4-methoxy-benzenesulfonyl)piperazin-1-yl)ethyl)quinazoline
HMR 1556 A 1-benzopyran that has formula C15H20N2O4S.
Methacholine Chloride A quaternary ammonium salt that has formula C8H18NO2.Cl.
Folic Acid An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation.
RS 67333
2,3,3',4,4'-pentachlorobiphenyl
2-hydroxychavicol
Gadolinium A lanthanoid atom that has formula Gd.
2,3,4,5,6-pentachloroaniline
etoperidone
2,5-dihydroxybenzaldehyde A dihydroxybenzaldehyde carrying hydroxy groups at positions 2 and 5.
Kynurenic Acid A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4.
eremanthin A sesquiterpene lactone that has formula C15H18O2.
Hydroxyeicosatetraenoic Acids Any monohydroxylated icosanoid having four double bonds.
gamma-valerolactone A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a methyl group at position 5. It has been found in the urine samples of humans exposed to n-hexane.
L 745337
alanylproline-4-nitroanilide
Nitrogen Mustard Compounds
Mechlorethamine
tyrphostin 47
3,7-O-dimethylquercetin
forsterite
Pimozide
Oxadiazoles
nitrosonium tetrafluoroborate
budlein A A sesquiterpenoid that has formula C20H22O7.
Quipazine
Amphetamine An amphetamine, the parent of the class of amphetamines, having the structure 1-phenylpropan-2-amine. It exists as a racemate.
Trapidil
WAY-169916
tetraoctylammonium bromide
dicrotophos A dialkyl phosphate that has formula C8H16NO5P.
cinacalcet
7-fluoro-2-oxo-4-(2-(4-(thieno(3,2-c)pyridin-4-yl)piperazin-1-yl)ethyl)-1,2-dihydroquinoline-1-acetamide
Diflubenzuron A benzoylurea insecticide that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 4-chlorophenyl group, and a hydrogen attached to the other nitrogen is replaced bgy a 2,6-difluorobenzoyl group.
efatutazone
GSK 2324
n-tetradecane
triphenyltin
naltrindole An isoquinoline that has formula C26H26N2O3.
black widow spider venom
Phenprocoumon
Nortriptyline An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline.
Butanols
N-(1-methylethyl)-1,1,2-trimethylpropylamine
M50354
5(6)-carboxy-2',7'-dichlorofluorescein
Cholera Toxin
Chorionic Gonadotropin
nitrosobenzylmethylamine
10,11-dihydro-10,11-dihydroxy-5H-dibenzazepine-5-carboxamide
GABA Agents
afimoxifene A tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen.
1-hydroxy-2,3,5-trimethoxyxanthone
Nalbuphine An organic heteropentacyclic compound that has formula C21H27NO4.
asiatic acid A pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). It is isolated from Symplocos lancifolia and Vateria indica and exhibits anti-angiogenic activity.
cyclohexyl-(2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl)amine
5-cholesten-3,25-diol 3-sulfonate
tridecane A straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus.
sulfoxaflor
4-tolyl isocyanate A member of the class of isocyanates comprising a benzene core with isocyanato- and methyl substituents para to each other.
Ortho Evra
temocapril hydrochloride
1-(2-fluorophenyl)-3-(2-(morpholin-2-yl)ethyl)-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide
Dihydroxyacetone Phosphate
bis(tri-n-butyltin)oxide
meloxicam
UH 232
XP 620
Testosterone An androstanoid having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4-C-5..
phenylhydroquinone
PAPA NONOate
1,5-dihydroxyisoquinoline
Tiopronin
2-chloroethylamine
Ferrosoferric Oxide An iron oxide that has formula Fe3O4.
GW2974
2-benzoquinone
naloxonazine
Nitrazepam
tris(2-carboxyethyl)phosphine
2,4-bis(4'-fluorophenethylamino)-6-(3'-(N,N-dimethylamino)propylamino)-1,3,5-triazine
2-(methylamino)isobutyric acid
2,4,6-trichlorophenol A trichlorophenol with phenolic substituents on positions 2, 4 and 6.
6-(N,N-dimethylamino)-2-(naphthalene-1-yl)-4-quinazolinone
Glyceraldehyde 3-Phosphate An aldotriose phosphate that is the 3-phospho derivative of glyceraldehyde. It is an important metabolic intermediate in several central metabolic pathways in all organisms.
Nitroblue Tetrazolium
bisindolylmaleimide
N-Methyl-3,4-methylenedioxyamphetamine
homoorientin
hexacyanoferrate III
NPS R-467
S-1,2-dichlorovinyl-N-acetylcysteine
2-phenylaminoadenosine
Hydroxy Acids Any carboxylic acid with at least one hydroxy group.
Floxacillin
3-anisidine
1,7-N-heptylene-bis-9,9'-amino-1,2,3,4-tetrahydroacridine
NS 1619 A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca).
Creosote
prunetin A hydroxyisoflavone that is genistein in which the hydroxy group at position 7 is replaced by a methoxy group.
cinobufagin A steroid lactone that has formula C26H34O6.
kangshuai yizhi
3-(4-hydroxy-2-methoxybenzylidene)anabaseine
pentanal A fatty aldehyde composed from five carbons in a straight chain
2,2'-dipyridyl disulfide
mifobate
Skatole A methylindole carrying a methyl substituent at position 3. It is produced during the anoxic metabolism of L-tryptophan in the mammalian digestive tract.
Estrone A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17.
harmalol A harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond.
seocalcitol
4-allyl-8-ethyl-7,8-dihydro-2-(3-methoxy-1-methyl-1H-pyrazol-5-yl)-1H-imidazo(2,1-i)purin-5(4H)-one
5-Methylcytosine
ethylene
Dalteparin
docosapentaenoic acid Any straight-chain, C22 fatty acid having five C=C double bonds.
AR-R 17779
1-methylanthracene
lycopene An acyclic carotene commonly obtained from tomatoes and other red fruits.
Acyl Coenzyme A
ferric-adenosine triphosphate complex
niguldipine A diarylmethane that has formula C36H39N3O6.
Flavin-Adenine Dinucleotide
Dianisidine
neoxanthin An epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions.
N-ethylmaleimide-S-glutathione A peptide that has formula C16H22N4O8S.
methidathion An organothiophosphate insecticide that has formula C6H11N2O4PS3.
1-acetonaphthone
3,7-bis(2-hydroxyethyl)icaritin
brofaromine
Azoxymethane
diallyl disulfide An organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium.
bufalin A 14beta-hydroxy steroid that is bufan-20,22-dienolide having hydroxy substituents at the 5beta- and 14beta-positions. It has been isolated from the skin of the toad Bufo bufo.
Naproxen A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.
4-ethylguaiacol
Crotalid Venoms
androstan-3-ol
4-hydroxystilbene
piperophos A N-acylpiperidine that has formula C14H28NO3PS2.
wogonoside
trityl chloride
sulfolithocholic acid
Firemaster 550
Tetrodotoxin A quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels.
Hazardous Substances
Malondialdehyde
2-gluthionyl-3,5,6-trichloro-1,4-benzoquinone
tenoxicam
2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)octanoic acid
CPU0213
Impromidine
nomegestrol acetate
oxotremorine M A quaternary ammonium ion that has formula C11H19N2O.
navitoclax
nitrofen An organic molecular entity that has formula C12H7Cl2NO3.
2-amino-3-(2-amino-2-carboxyethylsulfanyl-mercuricsulfanyl)-propionic acid
OPC 3911
Sulfinpyrazone A pyrazolidine that has formula C23H20N2O3S.
5-((4-(2-(1-indolyl)ethoxy)-phenyl)methyl)thiazolidine-2,4-dione
Nicorandil
3-(3,4-difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone
gyrophoric acid
Ampicillin A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.
aflatoxin-albumin adduct
Hexanes
dicarbine
5-aminoisoquinolinone
Menthol
JHW 015
Pindolol A member of the class of indols which is the 2-hydroxy-3-(isopropylamino)propyl ether derivative of 1H-indol-4-ol.
isomenthol
Fluconazole A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It has been shown to exhibit antifungal activity.
ferric chloride
1,4-dihydroxy-2-naphthoic acid A naphthoic acid that is 2-naphthoic acid substituted by hydroxy groups at positions 1 and 4.
antimonite A trivalent inorganic anion obtained by removal of all three protons from antimonous acid.
4-aminobenzamidine
4-methylumbelliferyl acetate An acetate ester consiting of umbelliferone carrying a 7-O-acetyl group.
suplatast tosilate An anilide that has formula C16H26NO4S.C7H7O3S.
Ganciclovir An oxopurine that is guanine substituted by a [(1,3-dihydroxypropan-2-yl)oxy]methyl group at position 9. Ganciclovir is an antiviral drug used to treat or prevent AIDS-related cytomegalovirus infections.
Potassium Cyanide A cyanide salt that has formula CKN.
FLB 457
ND 322
cadmium telluride
chlornaltrexamine
antimony oxide
Monobactams Monocyclic, bacterially produced or semisynthetic beta-lactam antibiotic. It lacks the double ring construction of the traditional beta-lactam antibiotics and can be easily synthesized.
SB 210661
3-(5-(2,3-dichlorophenyl)-1H-tetrazol-1-yl)methylpyridine
lactofen
4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic Acid
Phenetidine
Cadmium Chloride
Zinc Oxide A zinc molecular entity that has formula OZn.
succinyl-coenzyme A
Fusaric Acid An aromatic carboxylic acid that has formula C10H13NO2.
astin B
LL Z1640-2
bicinchoninic acid
Asbestos, Amosite
allylpyrocatechol
3,3',4,5'-tetrahydroxystilbene
Captan A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops.
bromfenac Amfenac in which the the hydrogen at the 4 position of the benzoyl group is substituted by bromine. It is used for the management of ocular pain and treatment of postoperative inflammation in patients who have undergone cataract extraction. It was withdrawn from the US market in 1998, following concerns over off-label abuse and hepatic failure.
N-benzyladriamycin-14-valerate
Pyrantel Pamoate An organic molecular entity that has formula C23H16O6.C11H14N2S.
bilobalide A terpenoid trilactone found in extracts of Ginkgo biloba.
delta(12)-prostaglandin J(2)
2-hydroxyquinoline
2-(1-(4-piperonyl)piperazinyl)benzothiazole
ormeloxifene
PD 161570
kahweol palmitate
5-hydroxythalidomide
baicalein A trihydroxyflavone with the hydroxy groups at positions C-5, -6 and -7.
L 703606
Lignans
aroclor 1260
Promegestone
Santonin
SIB 1757
RS 43179
5-hydroxymethylcytosine A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a hydroxymethyl group.
2-(3-trifluoromethylphenyl)histamine
3',4'-dimethoxyflavone
7-benzyloxyquinoline
oxybenzone A hydroxybenzophenone that is benzophenone which is substituted at the 2- and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively.
1-(4-carbamoylpyridinium)-4-(4-hydroxyiminomethylpyridinium)but-2-ene
betulin A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.
WHI P154
2-tert-butyl-4-methylphenol
atrasentan
1,2-dihydro-1,2-dihydroxy-5-methylchrysene
Digitoxin
N-(deoxyguanosin-8-yl)-1-aminopyrene
lupeol A pentacyclic triterpenoid that is lupane in which the hydrogen at the 3beta position is substituted by a hydroxy group. It occurs in the skin of lupin seeds, as well as in the latex of fig trees and of rubber plants. It is also found in many edible fruits and vegetables.
fexofenadine A piperidine-based anti-histamine compound.
EHT 1864
2,6-di-tert-butyl-4-hydroxymethylphenol
aldophosphamide A nitrogen mustard that has formula C7H15Cl2N2O3P.
Emulsions
Chlorthalidone An isoindole that has formula C14H11ClN2O4S.
4-nitrobenzaldehyde A C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group.
fusaproliferin
Niflumic Acid
demeton-S-methyl An organothiophosphate insecticide that has formula C6H15O3PS2.
pyrrolidine dithiocarbamic acid
captax
TRK 820
S-Nitrosothiols
Dihydralazine
2-hydroxy-1-(2-((9-(4-methylcyclohexyl)-9H-pyrido(4',3'-4,5)pyrrolo(2,3-d)pyrimidin-2-yl)amino)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)ethanone
1,2,4-trihydroxy-9,10-anthracenedione
fasciculin
Guanine Nucleotides
Hydroxymethylglutaryl-CoA Reductase Inhibitors A compound that inhibits HMG-CoA reductases. Hydroxymethylglutaryl-CoA reductase inhibitors have been shown to lower directly cholesterol synthesis. The Enzyme Commission designation is EC 1.1.1.34 for the NADPH-dependent enzyme and EC 1.1.1.88 for an NADH-dependent enzyme.
Pentamidine A diether compound consisting of pentane-1,5-diol with both hydroxyls bearing 4-amidinophenyl groups.
O-demethyltramadol
tin protoporphyrin IX
demethylchlordimeform
tezosentan
dimerumic acid
BMS 961
actein A triterpenoid that has formula C37H56O11.
2,4-Dinitrophenol A dinitrophenol having the nitro groups at the 2- and 4-positions.
terephthalic acid A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids.
Isotretinoin A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.
Glutethimide
trichloroacetaldehyde An organochlorine compound that consists of acetaldehyde where all the methyl hydrogens are replaced by chloro groups.
adiphenine
GYPGKF-NH(2)
cinitapride
16-ketoestrone A 3-hydroxy steroid that has formula C18H20O3.
PI 540
Chitin An aminoglycan consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues.
1-hydroxy-2-oxo-3,3-bis(2-aminoethyl)-1-triazene
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-((5-(4-fluorophenyl)-3-pyridinyl)methyl)piperazine
dibromodiphenyl ether
phorbol 12-phenylacetate 13-acetate 20-homovanillate
methoxy-morpholinyl-doxorubicin
1-(4-(benzothiazol-2-yloxy)benzyl)piperidine-4-carboxylic acid
Staphylococcal Protein A
Amiodarone A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.
2-amino-6-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-4-piperidin-4-yl nicotinonitrile
rosuvastatin
2,4-diaminotoluene An aminotoluene that is para-toluidine with an additional amino group at position 2.
benazepril A benzazepine that has formula C24H28N2O5.
alpha-MSH
eucalyptol
puag-haad
Carnosine
di-n-propylphthalate
diphenyltin
7-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-5-(3-piperidinyl)-1,4-dihydro-2H-pyrido(2,3-d)(1,3)oxazin-2-one
Isoxsuprine
1,2-diacylglycerol
1-phenyl-3-dimethylamino-1,2,3,4-tetrahydronaphthalene
selenium-cisplatin conjugate
3-hydroxybenzylhydrazine
decamethonium A quaternary ammonium ion that is a depolarising muscle relaxant whose structure comprises a decane-1,10-diamine core in which each amino group carries three methyl substituents.
Guanethidine
N-tert-butylisoquine
2,3,4-tri-O-acetylarabinopyranosyl isothiocyanate
benzimidazolone
Chrysenes
3-mercaptopicolinic acid
Zinc Acetate An acetate salt in which the cationic component is zinc(2+).
kamebakaurin
fenbuconazole A racemate comprising equimolar amounts of (R)- and (S)-fenbuconazole. A fungicide used to control a range of diseases including powdery mildew, black rot and scab.
dihydrexidine
eupafolin
methyl iodide
alpha-hydroxyglutarate
domoic acid A L-proline derivative that is L-proline substituted by a carboxymethyl group at position 3 and a 6-carboxyhepta-2,4-dien-2-yl group at position 4. It is an analog of kainic acid and is the neurotoxin associated with the amnesic shellfish poisoning (ASP).
WeiJia
Glyceraldehyde An aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing.
Isoflavones Any isoflavonoid with a 3-aryl-1-benzopyran-4-one (3-aryl-4H-chromen-4-one) skeleton and its substituted derivatives.
Bemegride
Roxarsone An organoarsonic acid where the organyl group is 4-hydroxy-3-nitrophenyl.
n-pentanol
Aspirin
SCH 23390 A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 7 and a hydroxy substituent at position 8.
dimethylstilbestrol A stilbenoid that has formula C16H16O2.
SR 59119A
Chlorides
9-amino-6-chloro-2-methoxyacridine
Diglycerides A glyceride in which any two of the R groups (positions not specified) are acyl groups while the remaining R group can be either H or an alkyl group.
Voriconazole A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.
lewisite
nonachlor
7-methylbenzanthracene
1-stearoyl-2-arachidonoylglycerol A 1,2-diglyceride in which the acyl groups at positions 1 and 2 are specifed as stearoyl and arachidonoyl respectively.
jasplakinolide
RS 100329
petrosaspongiolide m
N-(7-(4-nitrobenzo-2-oxa-1,3-diazole))-6-aminocaproyl sphingosine Sphingosine with the amino nitrogen converted into a 6-{[N-(7-nitrobenzo-2,1,3-oxadiazol-4-yl)amino]}hexananamido group.
salvianolic acid A A stilbenoid that has formula C26H22O10.
salvianolic acid B
tert-Butylhydroperoxide An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes.
acetophenone A methyl ketone that is acetone in which one of the hydrogens of the methyl group has been replaced by a phenyl group.
1L-6-hydroxymethyl-chiro-inositol 2(R)-2-O-methyl-3-O-octadecylcarbonate
Acrylonitrile A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an ethenyl group.
Hycanthone A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.
levistolide A
4-methylimidazole Imidazole substituted at position 4 by a methyl group.
pitavastatin
estragole An olefinic compound that has formula C10H12O.
triptycene
Vaccines
tetrachlorophenol A chlorophenol that is phenol in which four of the hydrogens attached to the benzene ring are replaced by chlorines.
27-hydroxy-4-cholesten-3-one
Cyclosporins
carbazole
4-hydroxymidazolam
schizandrol B
Aminocaproic Acid
4,4'-cyclohexylidenebisphenol
2-iodobenzenamine
diapocynin
prinomastat
betadex
Linagliptin
technetium 99m (HYNIC-3PRGD(2))(tricine)(TPPTS)
S 2238
carbetapentane
prostaglandin A1 A prostaglandins A that has formula C20H32O4.
apicidin
dong quai
pinitol A cyclitol ether formed by etherification of the 3-hydroxy group of chiro-inositol. It is plant metabolite isolated from the leaves of Sutherlandia frutescens.
cobalt(II) acetate
alpha-methyldopamine
2,2',4,4'-tetrabromodiphenyl ether An organobromine compound that has formula C12H6Br4O.
Phenformin
titanium nitride
Benzoates A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid.
6,7-dihydro-1,1,2,3,3-pentamethyl-4-(5H)indanone
ginsenoside Rg2 A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy group at position 6 has been converted to the corresponding alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position.
octachlorostyrene An organochlorine compound that has formula C8Cl8.
Reactive Nitrogen Species A family of nitrogen molecular entities which are highly reactive and derived from nitric oxide (.NO) and superoxide (O2.(-)) produced via the enzymatic activity of inducible nitric oxide synthase 2 (NOS2) and NADPH oxidase respectively.
Catechin
EGFR tyrosine kinase inhibitor 324674
fenproporex
ethylcholine aziridinium
4-phenyl-2-propionamidotetraline
trabectedin A tetrahydroisoquinoline alkaloid obtained from a Caribbean tunicate Ecteinascidia turbinata. Used for the treatment of soft tissue sarcoma and relapsed ovarian cancer.
Domperidone
benzene oxide
Calcium, Dietary
beta-glycerophosphoric acid
ioxitalamic acid
Aromatase Inhibitors An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor which interferes with the action of aromatase (EC 1.14.14.14) and so reduces production of estrogenic steroid hormones.
Aclarubicin
copper bis(3,5-diisopropylsalicylate)
4-aminobenzhydrazide
Halothane A haloalkane comprising ethane having three flouro substituents at the 1-position as well as bromo- and chloro substituents at the 2-position.
ethoprophos An organothiophosphate insecticide that has formula C8H19O2PS2.
2-methoxy-4-aminoazobenzene
Pantothenic Acid A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine.
decane A straight-chain alkane with 10 carbon atoms.
tryptamine An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position.
mecobalamin
Saccharin A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent.
Zimeldine
resolvin D1 A very long-chain fatty acid that has formula C22H32O5.
resolvin D2 A very long-chain fatty acid that has formula C22H32O5.
bafilomycin A
Fenthion An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen atom of the hydroxy group is replaced by a 3-methyl-4-(methylsulfanyl)phenyl group. It exhibits acaricidal and insecticidal activities.
Propantheline
1,3,7,8-tetrachlorodibenzo-4-dioxin
Gold Sodium Thiomalate
Benzopyrans
coralyne
3,4-di-O-caffeoylquinic acid
12-ketoendrin
Sulfides
3-(2-ethylphenoxy)-1-(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanol oxalate
Anti-Retroviral Agents
1,3-dichlorobenzene A dichlorobenzene carrying chloro substituents at positions 1 and 3.
madecassoside A triterpenoid saponin that is a trisaccharide derivative of madecassic acid. Isolated from Centella asiatica, it exhibits anti-inflammatory, antioxidant and antirheumatic activities.
Biopterin A pterin derivative that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 6 respectively. The parent of the class of biopterins.
cinnamyl-3,4-dihydroxycyanocinnamate
FdUMP(10)
Desoxycorticosterone Acetate
4-methylcyclohexyl-1,6-dicarboxylic acid anhydride
tryptamine-4,5-dione
wogonin A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8.
Dynorphins
Mitomycin
Propylene Glycol
timosaponin AIII A triterpenoid that has formula C39H64O13.
1-hydroxy-3-amino-2-pyrrolidone
NS 004
Mestranol
isoimperatorin A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor.
1-(4-chlorobenzoyl)-5-methoxy-2-1H-indole-3-acetic acid 3-(nitrooxymethyl)phenyl ester
667 coumate
quercetin 3-arabinopyranoside
5H-benzo(4,5)cyclohepta(1,2-b)pyridin-5-one
9,10-Dimethyl-1,2-benzanthracene
Pyridazines
clorophene
farnesal A farnesane sesquiterpenoid that has formula C15H24O.
tetrabutylammonium A quaternary ammonium ion that has formula C16H36N.
4-hydroxyphenylacetone
tris(4-methyl-1-pyrazolyl)borohydride
methylbenzethonium
isopropyl thioxanthone
NSC 303530
cylindrospermopsin
p-Chloromercuribenzoic Acid A mercuribenzoic acid that has formula C7H5ClHgO2.
arctiin A lignan that has formula C27H34O11.
stannous chloride
myricitrin A glycosyloxyflavone that consists of myricetin attached to a alpha-L-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Myrica cerifera, it exhibits anti-allergic activity.
2-((2,6-dichlorophenyl)amino)benzeneacetic acid 4-(3H-1,2-dithiol-3-thione-5-yl)phenyl ester
LHRH, Leu(6)-des-Et-GlyNH2(10)-
cyclohexanecarboxylic acid (3-(2,5-dimethylbenzyloxy)-4-(methanesulfonylmethylamino)phenyl)amide
Uridine Diphosphate Glucuronic Acid
technetium Tc 99m mebrofenin
tenidap A thiophene that has formula C14H9ClN2O3S.
Tolazoline
L 689065
surfactin peptide
neurotensin NT79
manganese(III) acetate dihydrate
Fibric Acids
SN50 peptide
geraniol A monoterpenoid consisting of two prenyl units linked head-to-tail and functionalised with a hydroxy group at its tail end.
Angiotensin II
Creatinine
N-(2-aminoethyl)-4-(5-(4-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
1-aminobenzotriazole
dronedarone
zomepirac glucuronide
vitamin K1 oxide
adapalene An adamantane that has formula C28H28O3.
butenafine
methylcholine
16 alpha,17-epoxyprogesterone
5-methoxypsoralen
11-keto-boswellic acid
ethyl pyruvate
12-hydroxy-5,8,10-heptadecatrienoic acid
Ryanodine An insecticide alkaloid isolated from South American plant Ryania speciosa.
dragon's blood
fraxinellone
buthionine sulfoximine ethyl ester
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4.
cloflucarban
Norfloxacin A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.
Proanthocyanidins A flavonoid oligomer obtained by the the condensation of two or more units of hydroxyflavans.
3-(2-(4-(3-chloro-2-methylphenyl)1-piperazinyl)ethyl)5,6-dimethoxy-1-(4-imidazolylmethyl)-1H-indazol dihydrochloride 3.5 hydrate
anethole
1,24,25-trihydroxyvitamin D3
NPC 15437
4-methylthioamphetamine
Chlorisondamine
NF157 compound
4-amidino-2-nitrophenyl 4'-anisate
Benzoxazines
Daunorubicin A natural product found in Actinomadura roseola.
4-oxoretinol
isocaproaldehyde
crystal violet lactone
5-chlorouracil An organochlorine compound consisting of uracil having an chloro substituent at the 5-position.
Glycodeoxycholic Acid A bile acid glycine conjugate of deoxycholic acid.
carfentanil
idoxifene
Fenfluramine
geranylgeranylacetone
Glycochenodeoxycholic Acid A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component.
N-nitrosodiethanolamine A nitroso compound that has formula C4H10N2O3.
Morpholines Any compound containing morpholine as part of its structure.
Ouabain
Paraquat An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions.
Sodium Chloride An inorganic chloride salt having sodium(1+) as the counterion.
cholestane-3,5,6-triol
enterotoxin F, Staphylococcal
N-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide
Praziquantel A pyrazinoisoquinoline that has formula C19H24N2O2.
Tolperisone
selenaproline
ammonium metavanadate
Clotrimazole A member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to a nitrogen is replaced by a monochlorotrityl group.
1-chloro-4-(2,2-dichloro-1-(4-chlorophenyl)ethenyl)-3-(methylsulfonyl)benzene
hexyl cinnamic aldehyde
lauroyl-coenzyme A
diethyl phthalate
Dithioerythritol The meso-diastereomer of 1,4-dimercaptobutane-2,3-diol; a sulfur-containing sugar derived from the monosaccharide erythrose; and an epimer of dithiothreitol.
liensinine
dehydroeburicoic acid A bile acid that has formula C31H48O3.
moxestrol A 3-hydroxy steroid that has formula C21H26O3.
rofecoxib
acetyl tert-butyl dimethylindan
5-dihydrodeoxycorticosterone
4,17 beta-dihydroxy-4-androstene-3-one
1-methylbenz(a)anthracene
Oviol
DAA 1097
Ethylenebis(dithiocarbamates)
Prostaglandin D2 A member of the class of prostaglandins D that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,9alpha,13E,15S- stereoisomer).
fructus schizandrae, radix ginseng, radix ophiopogonis drug combination
N-acetylpropargylglycine
N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Acrylamides An enamide which is acrylamide or a derivative of acrylamide obtained by replacement of one or more of its hydrogens.
nitroflurbiprofen A carboxylic ester obtained by formal condensation of the carboxy group of flurbiprofen with the free hydroxy group of 4-(nitrooxy)butanol. It is a non-steroidal anti-inflammatory agent showing inhibitory effects against the cyclooxygenases COX1 and COX2.
Toximul MP8
idraparinux
5-methoxyindoleacetic acid
4-tosylcyclonovobiocic acid
Ribomunyl
deoxynivalenol-3-glucuronide
plumbagin A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively.
mono-n-octyl phthalate
2'-(4-fluorophenyl)-21-fluoro-20-oxo-11beta,17alpha-dihydroxy-pregn-4-eno(3,2-c)pyrazole
7-hydroxystaurosporine
1-hydroxy-2-naphthoic acid A 2-naphthoic acid carrying a hydroxy substituent at the 1-position. It is a xenobiotic metabolite produced by the biodegradation of phenanthrene by microorganisms.
BAY 60-6583
BGP 15
oxodiperoxo(pyridine-2-carboxylate)vanadate(V)
Ruthenium Red A ruthenium coordination entity that has formula H42N14O2Ru3.6Cl.
propachlor An anilide that consists of 2-chloroacetanilide bearing an N-isopropyl substituent.
Clindamycin A carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic.
Vitamin K 3
Vitamin K 1
hydroxycamptothecinum
N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide
PAR-1-activating peptide
fluazifop-butyl An aromatic ether that has formula C19H20F3NO4.
Pinacidil
W 7
Sumatriptan A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family).
4-(4'-chlorobenzyloxy)benzyl nicotinate
Fluocinonide
nalmefene
Indapamide
swinholide A
Alizarin Red S
Tyramine
LE-Cl2MDP
4-nitrophenyloctanoate
bufuralol A benzofuran that has formula C16H23NO2.
HhAntag691
LE 540
picropodophyllin
deoxyelephantopin A sesquiterpenoid that has formula C19H20O6.
2'-cyano-2'-deoxyarabinofuranosylcytosine
menatetrenone
dichlozolinate
triethylenediamine
A 771726
deoxynivalenol-15-glucuronide
stearic acid A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.
diphenylacetic acid A monocarboxylic acid that is acetic acid where the methyl hydrogens have been replaced by two phenyl groups respectively.
arsenic disulfide
Merbromin
Betamethasone A glucocorticoid that has formula C22H29FO5.
etiracetam
Carnitine
Chalcone A member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group.
ST 679
4-vinylcyclohexene A cyclic olefin that has formula C8H12.
eumelanin
linoleoyl-coenzyme A
SC 41930
brilliant green
Enkephalins
Soil Pollutants
1-UFT protocol
Dihematoporphyrin Ether
salmeterol
J 113397
robinin A flavonoid that has formula C33H40O19.
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)acrylamide
tulobuterol
retinylamine
Methyldimethylaminoazobenzene
2,3-bis(3'-hydroxybenzyl)butane-1,4-diol
ICI 192605
naringenin-7-O-glucoside
acetochlor A monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively.
nilvadipine
Triazines Compounds based on a triazine skeleton.
N-substituted Glycines
phenylalanyl-prolyl-arginine methyl chloride
N(6),N(6)-dimethyladenine Adenine substituted at N-6 by geminal methyl groups.
Thiadiazoles
6-ethylchenodeoxycholic acid A cholanoid that has formula C26H44O4.
25-methoxyldammarane-3,12,20-triol
Cysteinyldopa A catecholamine that has formula C12H16N2O6S.
fluridone A phenylpyridine that has formula C19H14F3NO.
phenanthrene A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'
anacardic acid A hydroxybenzoic acid that has formula C22H36O3.
guanylin
dihydroxy-vitamin D3
Semustine An organochlorine compound that is urea in which the two hydrogens on one of the amino groups are replaced by nitroso and 2-chloroethyl groups and one hydrogen from the other amino group is replaced by a 4-methylcyclohexyl group.
Tetrachlorvinphos An alkenyl phosphate that has formula C10H9Cl4O4P.
Methimazole A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen.
2',3'-dideoxycytidine 5'-triphosphate
ethyl 6-(N-(2-chloro-4-fluorophenyl)sulfamoyl)cyclohex-1-ene-1-carboxylate
mercuric oxide
Dehydroepiandrosterone Sulfate A steroid sulfate that is the 3-sulfate of dehydroepiandrosterone.
ONO-LB 457
aripiprazole A quinolone that has formula C23H27Cl2N3O2.
Melatonin A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans.
malaoxon A dicarboxylic acid that has formula C10H19O7PS.
Cromolyn Sodium
Phycocyanin
8-prenylnaringenin
Chromium Alloys
1-(5-fluoropentyl)-3-(1-naphthoyl)indole
decan-4-olide
4,4'-(carbonylbis(imino-3,1-phenylenecarbonylimino-3,1-(4-methylphenylene)carbonylimino))bis(1,3-xylene-alpha,alpha'-diphosphonic acid)
Oxazolone
atorvastatin A dihydroxy monocarboxylic acid that is a member of the drug class known as statins, used primarily for lowering blood cholesterol and for preventing cardiovascular diseases.
Metyrapone
pyridoxal phosphate gamma-aminobutyric acid
benserazide, levodopa drug combination
desmethylmisonidazole
zearalenol
(3-(4-(bis(2-chloroethyl)amino)phenyl)-3-propyl)carbamic acid 2-(6-(17-hydroxy-13-methyl-3-oxo-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-11-yl)hexylamino)ethyl ester
8-(4-sulfophenyl)theophylline
satraplatin
bensulide A benzene that has formula C14H24NO4PS3.
Pregnanolone
arsenic trisulfide
Ketoprofen An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.
Ethylmaleimide
protocatechuic acid
cyanopindolol
Octoxynol
Succinates
Polyamines
Histone Deacetylase Inhibitors An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
propyleneimine An aziridine that has formula C3H7N.
methylarsine oxide
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid An azo compound that has formula C14H14N3O12PS2.
Idoxuridine
prostaglandin G2 A prostaglandins G that has formula C20H32O6.
Azathioprine A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS.
Metaproterenol A phenylethanolamine that has formula C11H17NO3.
bergamottin A furanocoumarin that has formula C21H22O4.
indenestrol
2,5-di-(2-phenethyl)pyrrolidine
N(6)-methyl-2'-deoxyadenosine 3',5'-diphosphate
single bond
FR 167653
malonic acid An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.
4-(isopropylamino)-2-(2-pyridyl)-2-phenylbutyramide
Glucosides
Coumaphos An organothiophosphate insecticide that has formula C14H16ClO5PS.
methylphosphonic difluoride
indomethacin phenethylamide
chlorobenzilate A diarylmethane that has formula C16H14Cl2O3.
CPS 49
chloroquine diphosphate
Propofol A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group.
N-methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine
avobenzone
Terfenadine
ginsenoside 20S-protopanaxatriol
obacunone A limonoid that has formula C26H30O7.
trans-1,2-dihydro-1,2-naphthalenediol
4,5,7a,8,9,10,11,11a-octohydro-7H-10-methylindolol(1,7bc)(2,6)-napthyridine
4-(2-aminoethyl)benzenesulfonylfluoride
acenaphthene-1-ol
Ofloxacin An oxazinoquinolone carrying carboxy, fluoro, methyl and 4-methylpiperazino substituents. A synthetic fluoroquinolone antibacterial agent, it inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.
2',3-dimethyl-4-aminobiphenyl
pelargonic acid
2,2',3,4,4',5',6-heptabromodiphenyl ether An organobromine compound that has formula C12H3Br7O.
Chondroitin Sulfate Proteoglycans
tetrabromobisphenol A-bisallylether
spiruchostatin A
spiruchostatin B
ezetimibe A beta-lactam that is azetidin-2-one which is substituted at 1, 3, and 4 by p-fluorophenyl, 3-(p-fluorophenyl)-3-hydroxypropyl, and 4-hydroxyphenyl groups, respectively (the 3R,3'S,4S enantiomer).
benzo(a)pyrene diolepoxide I An epoxide that has formula C20H14O3.
peroxyvanadate
tri-(2-chloroisopropyl)phosphate
TH 302
3-methoxycatechol
Air Pollutants, Occupational
Benzoyl Peroxide
Thioguanine
Cefmetazole
androstane-3,17-diol dipropionate A steroid ester that has formula C25H40O4.
NS 1652
2,4,5-trichlorophenol A trichlorophenol carrying chloro groups at positions 2, 4 and 5.
Phosphatidylinositol 4,5-Diphosphate
7-chlorokynurenic acid A quinolinemonocarboxylic acid that is quinaldic acid which is substituted by a hydroxy group at position 4 and by a chlorine at position 7. It is a potent NMDA glutamate receptor antagonist which antagonizes the strychnine-insensitive glycine site of the NMDA receptor. It also prevents neurodegeneration produced by quinolinic acid.
5,6-dimethoxy-3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
3-methylchrysene A carbopolycyclic compound that has formula C19H14.
TG 003
caffeoylquinic acid
n-hexadecane
Lovastatin A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as a antilipemic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).
oleoyl-coenzyme A
alpha helical corticotropin-releasing hormone
LDN 193189
tesmilifene
chromium oxide
Dithionitrobenzoic Acid
Cholesterol, HDL
remifentanil A piperidinecarboxylate ester that is methyl piperidine-4-carboxylate in which the hydrogen attached to the nitrogen is substituted by a 3-methoxy-3-oxopropyl group and the hydrogen at position 4 is substituted the nitrogen of N-propanoylaniline.
gatifloxacin
2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)propanamide
3-phenoxybenzoic acid A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides.
ferrous chloride
3-phenylpropanol-1
4-Aminobenzoic Acid An aminobenzoic acid in which the amino substituent is at position 4 of the benzoic acid.
ferulinolol
N-((5-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo(2,3-d)pyrimidin-6-yl)propyl)thiophen-2-yl)carbonyl)glutamic acid
triclocarban A member of the class of ureas that is urea substituted by a 4-chlorophenyl and a 3,4-dichlorophenyl group at positions 1 and 3 respectively.
SK&F 77434
RU 58668
carboprostacyclin
(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride
Aldrin An organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. It was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant.
cysteinyl-leukotriene
1,4-dihydroxyanthraquinone
coumaran
Thrombin
purmorphamine Purine substituted at C-2 by a 1-naphthyloxy group, at C-4 by a 4-morpholinophenylamino group, and at N-9 by a cyclohexyl group.
CRA1000
ottelione A
Yohimbine An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.
4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
Itraconazole A dioxolane that has formula C35H38Cl2N8O4.
Hexoses
1,2,3,4,7,8-hexachlorodibenzofuran A chlorin that has formula C12H2Cl6O.
Quartz
tebuconazole A racemate composed of equimolar amounts of (R)- and (S)-tebuconazole. A fungicide effective against various smut and bunt diseases in cereals and other field crops.
Amides An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group.
sorbinil An azaspiro compound having a monofluoro-substituted chromane skeleton spiro-linked to an imidazolidinedione ring.
tesaglitazar
MitoTEMPO
risedronic acid A pyridine that has formula C7H11NO7P2.
3-xylene
7-hydroxyellipticine
4-tert-butylcyclohexanol
BIM 23206
KNK 437
HS 1183
propionylthiocholine
N-(4-(3-chloro-4-fluorophenylamino)quinazolin-6-yl)acrylamide
vasotocin, (beta-mercapto-beta,beta-cyclopentamethylenepropionic acid)-O-methyl-Tyr(2)-Thr(4)-Orn(8)-Tyr(9)-NH2
Maharishi Amrit Kalash
Acitretin
FK 409
physostigmine heptyl
Aminosalicylic Acids
Sodium Fluoride A metal fluoride salt with a Na(+) counterion.
SR 140333
LDN 57444
Pentetic Acid A pentacarboxylic acid that has formula C14H23N3O10.
mecoprop A racemate comprising equimolar amounts of (R)- and (S)-mecoprop.
propazine A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.
icaritin
Butadienes
ankaflavin
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
Triprolidine
hyperforin A sesquarterpenoid that has formula C35H52O4.
ferrous oxide
4-fluorochalcone oxide
chrysene,2-diol-3,4-epoxide-1
2-methylquinoline
4-amino-2-hydroxytoluene
staurosporine aglycone
oxibendazole
digoxin-like factors
8,9-dichloro-2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a)quinoxalin-5(6H)-one
OSW 1
Betahistine
quercetin 3-O-beta-(2''-galloyl)-rhamnopyranoside
bolinaquinone
ethyl salicylate
tylophorine An organic heteropentacyclic compound that has formula C24H27NO4.
2-(4-acetoxyphenyl)-2-chloro-N-methylethylamine
oleoylethanolamide An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide
chromium nicotinic acid complex
1,2,3,7,8-pentachlorodibenzo-p-dioxin A dibenzodioxine that has formula C12H3Cl5O2.
2-Acetylaminofluorene
2-(2-cresyl)-4H-1-3-2-benzodioxaphosphorin-2-oxide
thamira parpam
Indolinone A
Lactulose A synthetic galactosylfructose disaccharide used in the treatment of constipation and hepatic encephalopathy.
phthalimide A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3.
7-amino-4-chloromethylcoumarin
MCS-18
8-azidoadenosine 5'-triphosphate
isotocin
carvacrol A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1).
tetraconazole A racemate comprising equal amounts of (R)- and (S)-tetraconazole. A fungicide used to control a range of fungal infections including powdery mildew, rusts, bunt, loose smut and scab.
7-hydroxy-2-N,N-dipropylaminotetralin
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole
vorozole
nitecapone
Melitten
Bezafibrate
amarogentin A secoiridoid glycoside that consists of (4aS,5R,6R)-5-ethenyl-6-hydroxy-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one having a 2-O-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-D-glucopyranosyl group attached at position 6 via a glycosidic linkage.
2-chloro-N(6)cyclopentyladenosine
isorhamnetin 3-O-glucoside
erythritol anhydride
sodium thiocyanate An organic sodium salt which is the monosodium salt of thiocyanic acid.
palomid 529
2-methyl-c-5-(4-(5-methyl-2-(4-methylphenyl)-4-oxazolyl)butyl)-1,3-dioxane-r-2-carboxylic acid
INCB018424
nickel acetate
Carcinogens A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
sevelamer
Vecuronium Bromide The organic bromide salt of a 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidinino- and 16beta-N-methylpiperidinium substituents.
Peptides Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc.
Glu-P-2 An imidazopyridine that has formula C10H8N4.
2,5-dimethyl-1,4-benzoquinonediamine
cetilistat
flavanone The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4.
Spider Venoms
Amino Acids, Peptides, and Proteins
isoangustone A
5-chloro-2-methyl-4-isothiazolin-3-one
GW 4869
atomoxetine A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents.
Digitonin A spirostanyl glycoside that has formula C56H92O29.
BGC945
acetylleucyl-leucyl-norleucinal A tripeptide composed of N-acetylleucyl, leucyl and norleucinyl residues joined in sequence.
pasireotide
2-methoxy-1,4-naphthoquinone A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis.
Biofuels
dimethoxy-4-indophenyl-2-aminopropane
Isothiocyanates An organosulfur compound with the general formula R-N=C=S.
Homocysteine A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.
PAK 104P
Vinblastine
OSU 03012
dichloro(4-cymene)ruthenium(II)
hibifolin
Neopterin A member of the neopterins that has formula C9H11N5O4.
caffeic acid A hydroxycinnamic acid that is cinnamic acid in which the phenyl ring is substituted by hydroxy groups at positions 3 and 4. It exists in cis and trans forms; the latter is the more common.
Oseltamivir
benzo(b)fluorene A fluorene that has formula C17H12.
Rhodium A cobalt group element atom that has formula Rh.
methylbromfenvinphos
Fluorouracil
Mibefradil
2-aminothiophenol
20-hydroxy-5,8,11,14-eicosatetraenoic acid
MEN 11270
decabromobiphenyl ether
Monomethylhydrazine
2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid methyl amide
2-pentenal An enal consisting of pent-2-ene having an oxo group at the 1-position
Interleukin 1 Receptor Antagonist Protein
guanosine 5'-O-(2-thiodiphosphate)
GC 1 compound
OSU-HDAC42 compound
diethyl-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-diacetate
aflatoxin B1-2,3-oxide
1-(4-hydroxyiminomethylpyridinium)-3-(carbamoylpyridinium) propane dibromide
5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide
Cetirizine A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.
HX 630
lead chromate
Adrenocorticotropic Hormone
cytosterone
FSL-1 lipoprotein, synthetic
Norfenfluramine
Oxamic Acid The monoamide of oxalic acid.
ethyl 4-nitrophenyl methylphosphonate
Ethylenethiourea An imidazolidine that has formula C3H6N2S.
3-methylsulfonyl-4-piperidinobenzoyl guanidine
8-hydroxy-2-(N-n-propyl-N-(3'-iodo-2'-propenyl)amino)tetralin
thiodicarb An organic sulfide that has formula C10H18N4O4S3.
1,5-bis(2,3-dimethoxyphenyl)penta-1,4-dien-3-one
2,3,7,8-tetrabromodibenzo-4-dioxin
eniporide
Carbamazepine A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.
2,3-dimethoxy-1,4-naphthoquinone A naphthoquinone that is 1,4-naphthoquinone bearing two methoxy substituents at positions 2 and 3. Redox-cycling agent that induces intracellular superoxide anion formation and, depending on the concentration, induces cell proliferation, apoptosis or necrosis. Used to study the role of ROS in cell toxicity, apoptosis, and necrosis.
Diterpenes A C20 terpene.
Anthralin
2-(4-((dimethylamino)methyl)benzylidene)-5,6-dimethoxy-2,3-dihydroinden-1-one
2-octyl-4H-1,3,2-benzodioxaphosphorin-2-oxide
picene An ortho-fused polycyclic arene consisting of five fused benzene rings. It is obtained during the distillation of petroleum.
Cholecalciferol
Leuprolide An oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, D-leucyl, leucyl, arginyl, and N-ethylprolinamide residues joined in sequence. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant (particularly as the acetate salt) for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty.
6-(N-(7-nitro-2,1,3-benzoxadiazol-4-yl)amino)hexanoyl-glucosylceramide
S 18523
Paraoxon An aryl dialkyl phosphate where both the alkyl groups are ethyl and the aryl group is 4-nitrophenyl.
mitemcinal
Puromycin Aminonucleoside
5-butyl-6-hydroxy-10-chlorobenzo(c)quinolizinium chloride
glaucocalyxin A
menthofuran
triethyllead
Enalapril A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration).
pyridafenthion
SC-203048
azidopine A benzamide that has formula C27H26F3N5O5.
carvedilol A member of the class of carbazoles that is an adrenergic antagonist with non-selective beta- and alpha-1 receptor blocking properties which helps in the management of congestive heart failure.
Tritolyl Phosphates
deacylcortivazol
cyclovirobuxine D
Naled A dialkyl phosphate that has formula C4H7Br2Cl2O4P.
avermectin Any of the macrolides obtained as fermentation products from the bacterium Streptomyces avermitilis and consisting of a 16-membered macrocyclic backbone that is fused both benzofuran and spiroketal functions and contains a disaccharide substituent. They have significant anthelmintic and insecticidal properties.
3-(2-(pyrrolidinyl)methoxy)pyridine
Dihydroxydihydrobenzopyrenes
Deoxycholic Acid A dihydroxy-5beta-cholanic acid that has formula C24H40O4.
dehydrocostus lactone An organic heterotricyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-bis(methylene)decahydoazulen-5-yl group and in which the hydroxy group and the carboxy group have undergone formal condensation to afford the corresponding gamma-lactone.
EMD 53998
Aurothioglucose
N-(4-chloro-2-((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)phenyl)-2-hydroxybenzamide
tributyrin A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by butyric acid.
Suppressor Factors, Immunologic
tetrandrine An isoquinoline that has formula C38H42N2O6.
1-hydroxymethylmidazolam
Phycoerythrin
midecamycin
fumagillin A meroterpenoid resulting from the formal condensation of the hydroxy group of fumagillol with the carboxylic acid group of (all-E)-deca-2,4,6,8-tetraenedioic acid. Originally isolated from the fungus Aspergillus fumigatus, it is used for the control of Nosema infection in honey bees.
Chlorpromazine A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.
butylbenzyl phthalate A 2-hydroxyisophthalic acid that has formula C19H20O4.
peroben
Thiobarbituric Acid Reactive Substances
(2-(trimethylammonium)ethyl)methanethiosulfonate
prucalopride
farrerol An organic molecular entity that has formula C17H16O5.
Croton Oil
N-(2-hydroxyethyl)retinamide
Oxygen A chalcogen that has formula O.
calmidazolium An imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an inhibitor of calmodulin, a calcium binding messenger protein.
telenzepine
YSNSG cyclopeptide
Lecithins
UVI 3003
tetramethylthiourea
1-phenyl-1,2-propanedione An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee.
Iron
Ammonium Hydroxide
N-((3-(aminomethyl)phenyl)methyl)ethanimidamide
iloperidone
didecyldimethylammonium
3-hydroxylup-20(29)-ene-27,28-dioic acid dimethyl ester
JBT-3002
10-methoxy-2,2-dimethyl-2,6-dihydropyrano(3,2-c)quinolin-5-one
serpentine (alkaloid)
10-(fluoroethoxyphosphinyl)-N-(biotinamidopentyl)decanamide
fenoxycarb A carbamate ester that is the O-ethyl carbamate of 2-(4-phenoxyphenoxy)ethylamine.
O(2)-(2,4-dinitrophenyl) 1-(4-(N,N-diethylcarboxamido)piperazin-1-yl)diazen-1-ium 1,2-diolate
Nitroglycerin A nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain.
4-fluoro-2-(4-(4-(2-hydroxypropan-2-yl)pyrrolidin-3-ylamino)-6,7-dimethoxyquinazolin-2-yl)phenol
Estranes
endothall
Diflunisal An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position.
adrenosterone A 3-hydroxy steroid that has formula C19H24O3.
LY 344864
Polyurethanes
isosteviol
rubitecan
NAD
Leptophos An organic thiophosphate that has formula C13H10BrCl2O3PS.
ceramide 1-phosphate A ceramide phosphate compound having the phosphate group in the 1-position and an unspecified acyl group atached to the nitrogen atom.
chlorobenzene The simplest member of the class of monochlorobenzenes, that is benzene in which a single hydrogen has been substituted by a chlorine.
ziyuglycoside II
tyrphostin 25
Ketoconazole A N-carbonylpiperazine that has formula C26H28Cl2N4O4.
benzarone
neotame A dipeptide composed of N-(3,3-dimethylbutyl)-L-aspartic acid and methyl L-phenylalanate units joined by a peptide linkage.
4-chlorobenzyltetrahydroberberine
fusarielin A
N-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide
N-acetyl glycine cysteine amide
Pheniramine
Chloralose A dioxolane that has formula C8H11Cl3O6.
orcinol A 5-alkylresorcinol in which the alkyl group is specified as methyl.
Calcitriol A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol.
antalarmin
Lobeline
perfluorooctanoic acid A fluoroalkanoic acid that is perfluorinated octanoic acid.
A 69024
ergocryptine
diazoxon An organic phosphate that is diethyl hydrogen phosphate in which the hydrogen of the hydroxy group has been replaced by a 6-methyl-2-(propan-2-yl)pyrimidin-4-yl group. It is a metabolite of the pesticide diazinon.
aluminum sulfate
MC1568
gallium nitrate
olaquindox
furfuryl alcohol A member of the class of furans bearing a hydroxymethyl substituent at the 2-position.
Sodium Nitrite
dimethyl phthalate A 2-hydroxyisophthalic acid that has formula C10H10O4.
2,2'-azobis(2-amidinopropane)
rivastigmine
monascin An organic heterotricyclic compound that is 3a,4,8,9a-tetrahydro-2H-furo[3,2-g][2]benzopyran-2,9(3H)-dione that is substituted at positions 3, 6, and 9a by hexanoyl, (1E)-prop-1-en-1-yl and methyl groups, respectively (the 3S,3aR,9aR diastereoisomer). One of the azaphilonoid pigments in extracts of Monascus pilosus-fermented rice (red-mould rice), it is a potent inhibitor of carcinogenesis measured against chemical- or UV-initiated, phorbol-promoted mouse skin tumours.
curdlan
N-methyl-N-(6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-ylmethyl)aminomethylcarboxylic acid
ramiprilat A dipeptide that is the active metabolite of ramipril. An angiotensin-converting enzyme (ACE) inhibitor, used to treat high blood pressure and congestive heart failure.
calcein AM An organooxygen compound that has formula C46H46N2O23.
SC 791
3,3',5-triiodothyroacetic acid
Imipenem
3-methylbenzyl alcohol A methylbenzyl alcohol that has formula C8H10O.
2,4,4',5-tetrachlorobiphenyl
Trifluridine
naphtho(1,2-a)pyrene
Methacholine Compounds
zardaverine A pyridazinone derivative in which pyridazin-3(2H)-one is substituted at C-6 with a 4-(difluoromethoxy)-3-methoxyphenyl group. It is a phosphodiesterase inhibitor, selective for PDE3 and 4.
KR-31612
4-tert-octylphenol An alkylbenzene that has formula C14H22O.
Ro 24-4736
prostaglandin E3 A prostaglandins E that has formula C20H30O5.
alizapride
7-hydroxyflavone A hydroxyflavonoid that has formula C15H10O3.
Linseed Oil
atractylenolide I
Electrolytes
methylene diisocyanate
Clorgyline An aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant.
BMS 181101
5-methoxyindole
torcetrapib A (trifluoromethyl)benzene that has formula C26H25F9N2O4.
Ly-364947
chlorofluoroacetic acid
Palmitoylcarnitine
Omite
zinc deuteroporphyrin IX 2,4-bis(glycol)
PD 81723
5-((1,5-bis(4-methoxyphenyl)pyrazol-3-yl)dimethoxymethyl)-2-chlorobenzamide
suillin
Dinoprost
magnolialide
PF 5168899
methylhistaprodifen
7,8-benzoquinoline
lipopolysaccharide, E. coli 026-B6
anhydrotetrodotoxin
Megestrol A 3-oxo Delta(4)-steroid that is pregna-4,6-diene-3,20-dione substituted by a hydroxy group at position 17.
lipoxin A4 A C20 hydroxy fatty acid having (5S)-, (6R)- and (15S)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds.
sinigrin An alkenylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose having a 4-[(sulfooxy)imino]but-1-en-4-yl group attached to the anomeric sulfur.
t-butyloxycarbonyl-methionyl-leucyl-phenylalanine
Perphenazine A member of the class of phenothiazines that is phenothiazine having a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the N-10 position.
di-n-hexyl phthalate A 2-hydroxyisophthalic acid that has formula C20H30O4.
pyrimidine The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions.
apigetrin
N'-(11H-indolo(3,2-c)quinolin-6-yl)-N,N-dimethylethane-1,2-diamine
2-nitrophenyl selenocyanic acid
Pentanols
Ferric Compounds
N'-(10H-indolo(3,2-b)quinolin-11-yl)-N,N-dimethylpropane-1,3-diamine
copper protoporphyrin IX
vanadium dioxide A vanadium oxide that has formula O2V.
mycophenolic acid glucuronide
P(1),P(5)-di(adenosine-5'-)pentaphosphate
glucobrassicin An indolylmethylglucosinolic acid that is 1-thio-beta-D-glucopyranose having a 2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl group attached to the anomeric sulfur.
(R)-N-cycloheptyl-6-((((tetrahydro-2-furyl)methyl)amino)methyl)thieno(2,3-d)pyrimidin-4-ylamine
Dibucaine
1,2,3-trichloropropane An organochlorine compound that has formula C3H5Cl3.
Dermatan Sulfate Any of a group of glycosaminoglycans with repeating units consisting of variously sulfated beta1->4-linked L-iduronyl-(beta1->3)-N-acetyl-D-galactosamine units.
citronellol A monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7.
2-methoxybenzoic acid A methoxybenzoic acid that is the methyl ether of salicylic acid.
dasatinib
2-(4-(3-quinolin-6-ylmethyl-3H-(1,2,3)triazolo(4,5-b)pyrazin-5-yl)pyrazol-1-yl)ethanol
PD 169316
NNC 112
alanyl-4-methoxy-2-naphthylamide
Dimaprit An imidothiocarbamic ester that has formula C6H15N3S.
N-(2-(7-(cyclohexylmethyl)-1,6-dihydro-2H-indeno(5,4-b)furan-8-yl)ethyl)acetamide
beta-funaltrexamine A morphinane alkaloid that has formula C25H30N2O6.
9,10-phenanthrenequinone
Glycyrrhizic Acid
phytoene An acyclic carotene that has formula C40H64.
4-(4-(3-adamantan-1-ylureido)cyclohexyloxy)benzoic acid
13-oxo-9,11-octadecadienoic acid
5-methylfurtrethonium
3-aminopyridine-2-carboxaldehyde thiosemicarbazone
icariin A member of the class of flavonols that is kaempferol which is substituted at position 8 by a 3-methylbut-2-en-1-yl group and in which the hydroxy groups at positions 3, 4', and 7 have been converted to the corresponding 6-deoxy-alpha-L-mannopyranoside, methyl ether, and beta-D-glucopyranoside, respectively. A phoshphodiesterase-5 inhibitor, it is obtained from several species of plants in the genus Epimedium and is thought to be the main active ingredient of the Chinese herbal medicine Herba Epimedii (yinyanghuo).
cyclopropapyrroloindole
ERB 041
hypsiziprenol A9
Aspartame
indioside D
adenosine-3',5'-cyclic phosphorothioate
3-deazaguanine
Nitrofurans
isovaleric acid A C5, branched-chain saturated fatty acid.
rEV576 protein, tick
Coumarins
diethyl malate
Formaldehyde The simplest aldehyde.
methylnaltrexone
2-((R)-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
HLo 7 An organic molecular entity that has formula C15H17N5O4.2I.
indan
benzaldehyde
ferumoxides
phthalic acid A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.
lucidenic acid P
cyclorphan
tributyl phosphate
dechloroethylcyclophosphamide A phosphorodiamide that has formula C5H12ClN2O2P.
Camptothecin A pyranoindolizinoquinoline that has formula C20H16N2O4.
heptelidic acid
lonidamine A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively.
7-hydroxymethotrexate
Ketotifen
1-amino-4-hydroxyanthraquinone
Dichloroethylenes
zinc bis(histidinate)
Testicular Hormones
Cefadroxil A cephalosporin bearing methyl and (2R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.
Nle(1)-AngIV
Doxylamine A tertiary amine that has formula C17H22N2O.
phosphoramide mustard A phosphorodiamide that has formula C4H11Cl2N2O2P.
Mesoridazine
6-O-angeloylenolin
CL 218872
apratastat
tamarixetin A monomethoxyflavone that is quercetin methylated at position O-4'. Isolated from Cyperus teneriffae.
gambierol
16 alpha-iodoestradiol
phosphoryl chloride
ethyl tert-butyl ether
Gonadotropin-Releasing Hormone
BL1521
N(6)-(delta(2)-isopentenyl)adenine
lipostabil
trequinsin
methionine selenoxide
polyethylene glycol-superoxide dismutase
CB 1093
Iron, Dietary
purpurin A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4.
Copper
GQ1b ganglioside
benzoylecgonine
Water Pollutants
Steroids Any of naturally occurring compounds and synthetic analogues, based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Natural steroids are derived biogenetically from triterpenoids.
4-methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
terbacil An organohalogen compound that has formula C9H13ClN2O2.
hydroxyhydroquinone
azamulin
Triamcinolone Acetonide A synthetic glucocorticoid that is the 16,17-acetonide of triamcinolone. Used to treat various skin infections.
blebbistatin A pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II.
tetrathiomolybdate
hexylglutathione
4-aminobenzonitrile
allyl cyanide
oleoyl-estrone
cinerubine A
cinerubine B
Troleandomycin
Lisuride
3,4-Methylenedioxyamphetamine
LBT 613
S,S'-1,4-phenylene-bis(1,2-ethanediyl)bis-isothiourea
N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea
5,6-dichlorobenzimidazole
Ambroxol
GR 113808 An indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide.
prothiophos
ergocristine Ergotaman bearing benzyl, hydroxy, and isopropyl groups at the 5', 12' and 2' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.
1,2-dioleoyl-sn-glycero-3-phosphoglycerol A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which both acyl groups are specified as oleoyl.
Malathion A diester that is butanedioate substituted by a (dimethoxyphosphorothioyl)sulfanediyl group at position 2.
phenanthridone A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity.
2,7-diaminomitosene
1,25(OH)2-16-ene-23-yne-26,27-hexafluoro-19-nor-D3
Apazone
Misoprostol A diastereoisomeric mixture composed of approximately equal amounts of a double racemate of four of the sixteen possible diastereoisomers of methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that is racemic prostaglandin E1 which is lacking the hydroxy group at position 15, but which has an additional hydroxy group at position 16. It is a synthetic prostaglandin E1 analogue, used in the treatment of gastric and duodenal ulcers. A weak abortifacient, it is also used for cervical ripening prior to surgical termination of pregnancy. The (11R,16S)-diastereoisomer is the pharmacologically active form.
5-hydroxyflavone
DCB-SLE1
1-deazaadenosine
N-Acetylneuraminic Acid An N-acylneuraminic acid where the N-acyl group is specified as acetyl.
cisplatin-DNA adduct
cupric oxide
(3Z)-3-(1H-pyrrol-2-yl)-methyllidene)-1-(1-(piperidylmethyl)-1,3-dihydro-2H-indol-2-one mesylate
isocarbophos A salicylate that has formula C11H16NO4PS.
benzoyl chloride A benzoic acid that has formula C7H5ClO.
2-n-butyl-9-methyl-8-(1,2,3)triazol-2-yl-9H-purin-6-ylamine
Bandrowski's base A quinone imine having amino substituents in the 2- and 5-positions and 4-aminophenyl substituents on both of the imine nitrogens. It is a trimer formed from 1,4-phenylenediamine.
acetone phenylhydrazone
protein-bound polysaccharide K, Basidiomycetes
Curcumin A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.
lipid mobilizing substance
Ethylmercury Compounds
6 beta-hydroxycortisol
1-nitronaphthalene A mononitronaphthalene substituted by a nitro group at position 1.
Prostaglandin H2 A prostaglandins H that has formula C20H32O5.
5-(N-benzyl-N-methylaminomethyl)-1--(2,6-difluorobenzyl)-6-(4-(3-methoxyureido)phenyl)-3-phenylthieno(2,3-d)pyrimidine-2,4(1H,3H)-dione
psi-tectorigenin
nafenopin-coenzyme A
polysaccharide peptide
spirapril
ethoxyacetic acid
1,1,1-trichloroethane A member of the class of chloroethanes carrying three chloro substituents at position 1.
Chloroform
1-amino-1,3-dicarboxycyclopentane
10,10-bis(4-pyridinylmethyl)-9(10H)-anthracenone
4-nitrobenzylthioinosine
PF-2341066
phosalone A member of the class of 1,3-benzoxazoles carrying a [(diethoxyphosphorothioyl)sulfanyl]methyl group at the nitrogen atom, an oxo group at position 2 and a chloro group at position 6. It is an organothiophosphate insecticide.
Nigericin A polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus.
1-Methyl-4-phenylpyridinium A pyridinium ion having a phenyl substituent at the 4-position.
Fucose Any deoxygalactose that is deoxygenated at the 6-position.
Guanylyl Imidodiphosphate
pimaric acid A diterpenoid that has formula C20H30O2.
trimethylarsine oxide An arsine oxide that has formula C3H9AsO.
Practolol
N-acetyldopamine
ranolazine
Measles-Mumps-Rubella Vaccine
terameprocol
3-fluoro-4-(4-((2-(3-fluorophenyl)pyrrolidin-1-yl)methyl)phenoxy)benzamide
pazopanib
resorcinol A benzenediol that is benzene dihydroxylated at positions 1 and 3.
Oxalic Acid An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.
beta-Aminoethyl Isothiourea
Diethylcarbamazine
4-anisidine
Piperonyl Butoxide A benzodioxole that has formula C19H30O5.
parecoxib
ganirelix
9-((2-phosphonylmethoxy)ethyl)guanine A phosphoethanolamine that has formula C8H12N5O5P.
ganglioside, GD1a
2,3,4,7,8-pentachlorodibenzofuran A chlorin that has formula C12H3Cl5O.
ZD 7155
dipropyl sulfide
Methiothepin A dibenzothiepine that is 10,11-dihydrodibenzo[b,f]thiepine bearing additional methylthio and 4-methylpiperazin-1-yl substituents at positions 8 and 10 respectively. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively).
MRK 003
Lasofoxifene
5-iodo-3-(2-azetidinylmethoxy)pyridine
alpha-phenyl-1-(2-phenylethyl)-4-piperidinemethanol
Etidronic Acid A 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces.
phytofluene An acyclic carotene that has formula C40H62.
Riluzole
isopropyl 4,4'-dibromobenzilate
5-methylurapidil
salvin
1-(propoxymethyl)maleimide
bis(4-acetamidophenyl) 1-prolylpyrrolidine-2-phosphonate
fluvastatin
3-methyleneindolenine An indole that consists of 3H-indole bearing a methylene substituent at position 3.
phloxine
3-hydroxy-2-naphthoic acid
Flunitrazepam
2,4-di-tert-butylphenol
2',5'-oligoadenylate
Calcium Ionophores
N-(1-fluoro-3-phenylpropan-2-yl)-N-methylprop-2-yn-1-amine
2-keto-4-methylthiobutyric acid
Unithiol
pyridoxal phosphate gamma-glutamyl hydrazone
Hexanols
zerumbone A sesquiterpenoid and cyclic ketone that is (1E,4E,8E)-alpha-humulene which is substituted by an oxo group at the carbon atom attached to two double bonds. It is obtained by steam distillation from a type of edible ginger, Zingiber zerumbet Smith, grown particularly in southeast Asia.
Cholates A bile acid salt having cholate as the anionic component.
Org 31710
NCX 6560
styrene oxide An epoxide of styrene.
Mannans
2,2-bis(bromomethyl)-1,3-propanediol
SB 290157
alpha-(4-pyridyl-1-oxide)-N-tert-butylnitrone
efletirizine
fluorescein 5-maleimide
Flame Retardants Any compound that is added to manufactured materials to inhibit, suppress, or delay the production of flames and so prevent the spread of fire.
verlukast
5'-deoxy-5-fluorocytidine A N-glycosyl compound that has formula C9H12FN3O4.
Enkephalin, Ala(2)-MePhe(4)-Gly(5)-
4,5-dichlorocatechol
3-chlorophenol A monochlorophenol carrying the chloro substituent at position 3.
Benzalkonium Compounds
Pyridoxal
E 3330
vofopitant
3-(2-(4-chlorophenylsulfanyl)phenyl)-N-(4-dimethylaminobutyl)acrylamide
potassium persulfate
naphtholphthalein
CJY compound
1H-benzotriazole-5-carboxylic acid
N-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide
diphenyldiselenide
benzotrichloride A benzene that has formula C7H5Cl3.
2,4-heptadienal
MRS 1191
Phenylenediamines
BHTOH-QM
ethiprole A pyrazole that has formula C13H9Cl2F3N4OS.
9-deoxy-delta-9-prostaglandin D2
copolymer 1
4-((2'-O-acetylrhamnosyloxy)benzyl)isothiocyanate
sesamin A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity.
VI-14 flavonoid
M 50367
triisopropyl phosphate
2,4,2',4'-tetrachlorobiphenyl
captafol A dicarboximide that captan in which the trichloromethyl group is replaced by a 1,1,2,2-tetrachloroethyl group. A broad-spectrum fungicide used to control diseases in fruit and potatoes, it is no longer approved for use in the European Community.
Antioxidants A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.
Calcimycin An aminobenzoic acid that has formula C29H37N3O6.
diallyl sulfone
WP 631
oleandrin A steroid saponin that consists of oleandrigenin having a 3-O-methyl-alpha-L-arabino-hexopyranosyl residue attached at position 3.
naphtho(2,3-a)pyrene
1-(3-(4-phenoxyphenoxy)-2-oxopropyl)indole-5-carboxylic acid
Benperidol
7-ethoxy-4-trifluoromethylcoumarin
AZD 1480
physostigmine salicylate An azaheterocycle salicylate salt that has formula C22H27N3O5.
S-(N,N-diethylaminoethyl) isobutyl methylphosphothiolate
delphinidin An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment resposible for the colours of the plants of the genera Viola and Delphinium.
CD4528
MY 5445
3-chloro-3'-((2-cyclopentyl-3-oxo-2,3-dihydrobenzo(d)isothiazol-6-yloxy)methyl)biphenyl-4-carboxylic acid
isoliquiritigenin 2'-methyl ether
2-naphthol A naphthol carrying a hydroxy group at position 2.
ropivacaine The piperidinecarboxamide obtained by the formal condensation of N-propylpipecolic acid and 2,6-dimethylaniline.
Ceramides
8-(3-chlorostyryl)caffeine Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.
Perylene An ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings.
befunolol
phenidone
purpurogallin A cyclic ketone that is 5H-benzocycloheptene bearing an oxo group at position 5 and hydroxy groups at positions 2, 3, 4 and 6.
Chlormadinone Acetate A corticosteroid hormone that has formula C23H29ClO4.
Benzopyrenes
(5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol
4-methoxy-3-phenylenediamine
monoethylglycinexylidide Amino acid amide formed from 2,6-dimethylaniline and N-ethylglycine components; an active metabolite of lidocaine, formed by oxidative deethylation. Used as an indicator of hepatic function.
(S)-2-methylbutyronitrile
6-chloroacetyl-2-dimethylaminonaphthalene
Isoflurophate
beta Carotene A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid.
2,2',4,6,6'-pentachlorobiphenyl
4-hydroxyclomiphene
Oxytetracycline A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae.
3-(4-bromophenyl)-2-(ethylsulfonyl)-6-methylquinoxaline-1,4-dioxide
OMDM-1 cpd
sunitinib A pyrrole that has formula C22H27FN4O2.
Cyclohexylamines
pramanicin
diferuloylputrescine
A 68930
Lorazepam
Liuwei Dihuang Decoction
valdecoxib
amorphigenin
taleranol
indoxyl acetate
beta-hydroxyisovalerylshikonin
Glycocholic Acid A bile acid glycine conjugate having cholic acid as the bile acid component.
N-isobutyl-N-(4-methoxyphenylsulfonyl)glycylhydroxamic acid
azelaic acid An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups.
polylactic acid-polyglycolic acid copolymer
robalzotan
Polyethyleneimine A polymer composed of repeating ethylamine units.
3-ketocholanoic acid
monobenzone
N-(4-((4,5-dichloro-2-fluorophenyl)amino)quinazolin-6-yl)acrylamide
1-O-hexadecyl-2-arachidonyl-sn-glycero-3-phosphocholine
6-hydroxymelatonin A member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6.
Centchroman
J 104132
2,3-Diphosphoglycerate
1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea
Carbon Disulfide An organosulfur compound that has formula CS2.
cyclohexanone A cyclic ketone that consists of cyclohexane bearing a single oxo substituent.
AG 127
biphenylylacetic acid
Sucralfate
Doxazosin A member of the class of quinazolines that is quinazoline substituted by an amino group at position 4, methoxy groups at positions 6 and 7 and a piperazin-1-yl group at position 2 which in turn is substituted by a 2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl group at position 4. An antihypertensive agent, it is used in the treatment of high blood pressure.
Fish Oils
neurotensin 69L
Guanabenz
proxymetacaine
Abscisic Acid
pendimethalin A member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds.
fucosterol A 3beta-sterol consisting of stigmastan-3beta-ol with double bonds at positions 5 and 24(28).
1-cyano-2-hydroxy-3-butene
lycium barbarum polysaccharide
danthron
3-biphenyl-4-yl-4-(2-fluorophenyl)-5-isopropyl-4H-1,2,4-triazole
7,7-diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one
p38alpha inhibitor CMPD1
Methoxsalen
zileuton
3-ethylphenol A phenol that has formula C8H10O.
capseal I
phosphoramidon A dipeptide isolated from the cultures of Streptomyces tanashiensis.
2-(allylthio)pyrazine
pantogab
Zoxazolamine A benzoxazole that has formula C7H5ClN2O.
monobutyl phthalate
RV 538
prodan
ganglioside, GD3
3,7-dimethyl-1-propargylxanthine
malabaricone B
malabaricone C A butanone that has formula C21H26O5.
CV 6504
bromoform A bromomethane that has formula CHBr3.
nylestriol
2',5'-dihydroxychalcone
HIV Envelope Protein gp120
conotoxin alpha-RgIA, Conus regius
Weichang'an
tri-o-cresyl phosphate
1,4-dioxane A dioxane with oxygen atoms at positions 1 and 4.
4-cyano-N-(2-(1-cyclohexen-1-yl)-4-(1-((dimethylamino)acetyl)-4-piperidinyl)phenyl)-1H-imidazole-2-carboxamide
1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one
Aminoglycosides
tetrakis(N-methyl-4-pyridiniumyl)porphine manganese(III) complex
selenomethylselenocysteine
19-epi-okadaic acid
Puromycin An aminonucleoside antibiotic, derived from the Streptomyces alboniger bacterium, that causes premature chain termination during translation taking place in the ribosome.
N-(3-fluoro-4-nitronaphthyl)-5-norbornene-2,3-dicarboxylic imide
haloperidol decanoate
phenyl valerate
Cytokines
1,4-dibromobenzene A dibromobenzene that has formula C6H4Br2.
methylmercuric chloride
Styrene A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species.
perfluorododecanoic acid
6-ethyl-6-(4-((phenylthio)methyl)phenyl)-6,7-dihydrobenzo(b)pyrrolo(1,2-d)(1,4)oxazepin-7-one
Androstane-3,17-diol A 17-hydroxy steroid that has formula C19H32O2.
falcarindiol An organic molecular entity that has formula C17H24O2.
CP 105696
Selenomethionine
Piroxicam A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid 1,1-dioxide with the exocyclic nitrogen of 2-aminopyridine.
Poly C A polynucleotide comprised of cytidine units connected via 3'->5' phosphodiester linkages.
5-(3-(3-hydroxyphenoxy)azetidin-1-yl)-5-methyl-2,2-diphenylhexanamide
TGX 221
tiliroside
plY protein, Streptococcus pneumoniae
diphenyltin chloride
zoniporide
dexbrompheniramine The (pharmacologically active) (S)-(+)-enantiomer of brompheniramine. A histamine H1 receptor antagonist, it is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.
Sulfonamides An amide of a sulfonic acid RS(=O)2NR'2.
Thiamylal A member of the class of barbiturates that is 2-thioxodihydropyrimidine-4,6(1H,5H)-dione substituted by a pentan-2-yl and prop-2-en-1-yl group at position 5.
sudan III An azobenzene that has formula C22H16N4O.
1-phenylazo-2-naphthol
etonitazene
ICI 211965
p-hydroxycinnamaldehyde
N-(4-(3-chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide
batimastat
11-(dansylamino)undecanoic acid
N,N-dimethylethylamine
Allylamine
hispidulin A monomethoxyflavone that is scutellarein methylated at position 6.
bis((2-oxindol-3-ylimino)-2-(2-aminoethyl)pyridine-N,N')copper(II)
Plant Extracts
Phospholipids
Methiocarb A carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfanyl)phenol with the carboxy group of methylcarbamic acid.
etonogestrel
Carthamus yellow
1-(2-(3-methoxyphenyl)ethyl)phenoxy-3-(dimethylamino)-2-propanol
fucoidan
perfluorodecalin A fluorocarbon that is decalin in which every hydrogen is replaced by fluorine. Capable of dissolving large quantities of oxygen, it has been used as the basis of an artificial blood substitute.
Plant Oils
Diphtheria-Tetanus-acellular Pertussis Vaccines
S-hydroxymethylglutathione Conjugate base of S-(hydroxymethyl)glutathione.
yessotoxin
eugenol, zinc oxide dental cavity lining
enterotoxin A, Staphylococcal
Diacetyl
4-cumylphenol
tin mesoporphyrin
Ambenonium Chloride A symmetrical oxalamide-based bis-quaternary ammonium salt having ethyl and 2-chlorobenzyl groups attached to the nitrogens.
1,6-bis(cyclohexyloximinocarbonyl)hexane
Antigens, Bacterial
6,7-dimethoxy-3-phenylquinoxaline
N-(2-pyridone-6-yl)-N',N'-di-n-propylformamidine
3,5-dihydroxyphenylglycine
Sweetening Agents
Vitamin U
Lactose
2,3-dimethoxy-6,6-dimethyl-5,6-dihydrobenzo(7,8)indolizino (2,3-b)quinoxaline
losigame
Vitamin A A group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.
benoxaprofen A monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group. It was used as a non-steroidal anti-inflammatory drug until 1982 when it was withdrawn from the market due to adverse side-effects including liver necrosis, photosensitivity, and carcinogenicity in animals.
Guanosine A purine nucleoside in which guanine is attached to ribofuranose via a beta-N(9)-glycosidic bond.
Vitamin E A chromanol that is chroman-6-ol which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units.
Vitamin D Vitamin D is a group of fat-soluble prohormones, which can be obtained from sun exposure, food and supplements. Vitamin D is biologically inactive and converted to the biologically active calcitriol via double hydroxylation in the body.
Vitamin K A fat-soluble vitamin required for the synthesis of prothrombin and certain other blood coagulation factors.
kaempferol A flavonol that has formula C15H10O6.
Water Pollutants, Chemical
2-(8-quinolinoxy)propionic acid
formestane
N,N-dipropylcarboxamidotryptamine
Propiolactone
Am 580
trimethylamine A tertiary amine that is ammonia in which each hydrogen atom is substituted by an methyl group.
Biological Products
ethyl(E,E,E)-7-(2-n-propoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-3-yl)-6-fluorp-3-methylocta-2,4,6-trienoate
4-hydroxy-2',4',6'-trichlorobiphenyl
benzoylcarbonyl-aspartyl-glutamyl-valyl-aspartyl-fluoromethyl ketone
N-(2-hydroxypropyl)methacrylamide co-polymer-doxorubicin conjugate
Streptonigrin Complex cytotoxic antibiotic obtained from Streptomyces flocculus or S. rufochronmogenus. It is used in advanced carcinoma and causes leukopenia.
Fatty Acids, Omega-6
FPEPIR regimen
1,2,4-trichlorobenzene A trichlorobenzene with chloro substituents at positions 1, 2 and 4.
paxilline An organooxygen compound that has formula C27H33NO4.
ergosterol-5,8-peroxide
4-amino-1,8-naphthalimide A benzoisoquinoline that has formula C12H8N2O2.
imiquimod An imidazoquinoline that has formula C14H16N4.
N-desmethyltamoxifen A stilbenoid that has formula C25H27NO.
indole-3-carbinol
benzohydrol
tiotropium
thiocholchicine
SCIO-469
Polyenes An olefin that contains more than one carbon-carbon double bond.
4557 W
bohemine
Phytic Acid
Acetone
astressin B
flavokawain A
Safrole A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive.
Ethidium The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA.
Furans Compounds containing at least one furan ring.
Pyrazoles
hydroxyapatite-beta tricalcium phosphate
AZD 6244
chlorfluazuron A benzoylurea insecticide that has formula C20H9Cl3F5N3O3.
lamotrigine A member of the class of 1,2,4-triazines in which the triazene skeleton is substituted by amino groups at positions 3 and 5, and by a 2,3-dichlorophenyl group at position 6.
bis(2-hydroxybenzylidene)acetone
Methylnitronitrosoguanidine
4-amylcinnamoylanthranilic acid
Fluoxymesterone An anabolic androgenic steroid that has formula C20H29FO3.
4-dimethylaminocinnamaldehyde
Cacodylic Acid
alpha-cyano-(3,4-dihydroxy)-N-benzylcinnamide
beta-thujone
epiallopregnanolone sulfate
1,2-dimethylnaphthalene A dimethylnaphthalene carrying methyl groups at positions 1 and 2.
KT 5823
ethyl vanillin
titanium citrate
broxaterol
2-hydroxypropyl-beta-cyclodextrin
soyasaponin I A triterpenoid saponin that is composed of soyasapogenol B having an alpha-L-rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid moiety attached at the 3-position via a glycosidic linkage.
butyrylcholine
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide An aromatic amide resulting from the formal condensation of the carboxy group of 1-methylcyclohexanecarboxylic acid with the amino group of 4-amino-2,3-dichlorophenol.
mestanolone
4-benzoylpyridine
mevalonolactone
bicyclol
eleostearic acid
16-hydroxycleroda-3,13(14)-dien-15,16-olide
bitertanol A diastereoisomeric mixture composed of the enantiomeric pair (1R,2S)- and (1S,2R)-bitertanol in a 4:1 ratio with the enantiomeric pair (1R,2R)- and (1S,2S)-bitertanol. A fungicide used to control a range of diseases including scab, powder mildew, rusts and blackspot. It is moderately toxic to most animal and insect species but is non-toxic to honeybees.
1,3-dipropyl-8-(4-sulfophenyl)xanthine
S-nitro-N-acetylpenicillamine
R116010
indirubin
S-pentachlorobuta-1,3-dien-yl-cysteine
thallium acetate
Cardiotonic Agents
Naphthalenes Any benzenoid aromatic compound having a skeleton composed of two ortho-fused benzene rings.
iprodione An imidazolidine-2,4-dione in which the nitrogen at position 1 is substituted by an N-(isopropyl)carboxamide group while that at position 3 is substituted by a 3,5-dichlorophenyl group. A contact fungicide, it blocks the growth of the fungal mycelium and inhibits the germination of fungal spores. It is used on fruit and vegetable crops affected by various fungal diseases. It is also used as a nematicide.
antibiotic G 418
chloropropylate An organochlorine acaricide that has formula C17H16Cl2O3.
octylphenol
certoparin
3,4-epoxy-1-butene
mepazine
phenethylcymserine
acetaldehyde oxime An aldoxime derived from acetaldehyde.
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
isophorone diisocyanate A diisocyanate in which the two isocyanate groups are linked by an isophorone substituent.
Biphenyl Compounds
tri-(2-ethylhexyl)trimellitate
triflusal
resiquimod An imidazoquinoline that has formula C17H22N4O2.
dimethyl-N-acetylmuramyl-alanylglutamate
EEDQ
alexidine An amphipathic bisbiguanide with a structure consisting of two (2-ethylhexyl)guanide units linked by a hexamethylene bridge.
CP-471,358
Thiazolidines
carbohydrazide A hydrazide consisting of hydrazine carrying one or more carboacyl groups.
Budesonide A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis.
1,2-dioleoyloxy-3-(trimethylammonium)propane
5-phenyl-5-(4-hydroxyphenyl)hydantoin glucuronide
CP 55244
Clarithromycin The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis.
indapamide, perindopril drug combination
bradykinin, Lys-Leu(8)-desArg(9)-
H 2545
Bupivacaine A racemate composed of equimolar amounts of dextrobupivacaine and levobupivacaine. Used (in the form of its hydrochloride hydrate) as a local anaesthetic.
Sodium Selenite
Pyridinium Compounds
HMR 3339
Fatty Acids, Volatile
Tolmetin
cholest-5-ene-3,4-diol
dazomet A dithiocarbamic ester that is 1,3,5-thiadiazinane with a thione moiety at position 2 and in which the hydrogens attached to the nitrogens are replaced by methyl groups. A fungicide, herbicide and nematicide, it is used prior to sowing or planting for the control of soil fungi, nematodes, bacteria and germinating weeds, and as fumigant for poultry litter and eggs to control Salmonella. It is a non-ozone-depleting alternative to methyl bromide.
Reactive Oxygen Species Molecules or ions formed by the incomplete one-electron reduction of oxygen. They contribute to the microbicidal activity of phagocytes, regulation of signal transduction and gene expression, and the oxidative damage to biopolymers.
saikosaponin
chlormethoxynil
1-hydroxyvitamin D5
PF 00477736
pyrene An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system.
tert-butylbicyclo-2-benzoate
2-bromopalmitate
Diatrizoate
2,7-dinitrofluorene
lavendustin A
azaspiracid
Gonadal Steroid Hormones
Anisomycin An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.
NVP-BKM120
ZK 164015
phenacyl bromide An alpha-bromoketone that has formula C8H7BrO.
SB 239063
4-nitro-3-phenylphenol
norkurarinol
N-(2-methyl-3-(4-(4-(4-(trifluoromethoxy)benzyloxy)piperidin-1-yl)-1,3,5-triazin-2-ylamino)phenyl)acetamide
chebulinic acid A tannin that has formula C41H32O27.
Epitestosterone An androstanoid that is the C-17 epimer of testosterone.
tertiary-amyl methyl ether
GSK 8470
ciglitazone An aromatic ether that consists of 1,3-thiazolidine-2,4-dione with position 5 substituted by a 4-[(1-methylcyclohexyl)methoxy]benzyl group. A selective PPARgamma agonist.
2-amino-1,7-dimethylimidazo(4,5-g)quinoxaline
cycloprothrin A carboxylic ester having 2,2-dichloro-1-phenylcyclopropanecarboxylic acid as the acid component and hydroxy(3-phenoxyphenyl)acetonitrile as the alcohol component.
1-butyrylglycerol
Cytidine A pyrimidine nucleoside in which cytosine is attached to ribofuranose via a beta-N(1)-glycosidic bond.
diphenylditelluride
estradiol 17 beta-cypionate
8-oxo-7-hydrodeoxyguanosine
Calcium Carbonate A carbonate salt that has formula CO3.Ca.
2-methylene-19-nor-(20S)-1 alpha-hydroxy-bishomopregnacalciferol
bisperoxovanadium
Iodides
p-aminophenylarsine oxide
mono(2-ethyl-5-hydroxyhexyl) phthalate
JNJ 10397049
sanglifehrin A
Isatin The 2,3-diketo derivative of indole.
9-anthroic acid An anthroic acid carrying the carboxy substituent at position 9.
norlevorphanol
tetra(4-N-methylpyridyl)porphine
toloxatone
Amitrole A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an amino group at position 3.
Glutarates
CX157
acetovanillone
KC 400
pamidronate
diniconazole A racemate comprising equimolar amounts of (R)- and (S)-diniconazole. A fungicide used to control a range of diseases including mildew, bunts and smuts.
Tolnaftate
indirubin-3'-monoxime
Methyl Parathion
PF 232798
3,5,3',4',5'-pentamethoxystilbene
ultra-high molecular weight polyethylene
monoisoamyl-2,3-dimercaptosuccinate
metoprolol succinate
actinidine A member of the class of cyclopentapyridines that is 6,7-dihydrocyclopenta[c]pyridine bearing two methyl substituents at positions 4 and 7.
androsterone glucuronide
20-hydroxyeicosa-6(Z),15(Z)-dienoic acid
butachlor An anilide that has formula C17H26ClNO2.
X 910279
5-methoxyindole-2-carboxylic acid
Magnesium Sulfate A magnesium salt having sulfate as the counterion.
profenamine
Obidoxime Chloride
(2E)-decenal
n-decyl alcohol
gusperimus
N-benzyl-N-ethyl-2-(7,8-dihydro-7-methyl-8-oxo-2-phenyl-9H-purin-9-yl)acetamide
SB 269970
psicose A ketohexose that is the C-3 epimer of fructose.
propionaldehyde An aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals.
2,3,6,7-tetrachlorobiphenylene
capsazepine A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist.
S-ethyl glutathione
15-ketoprostaglandin E2
felbamate
protopanaxatriol A tetracyclic triterpenoid sapogenin (isolated from ginseng and notoginseng) that is that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions and in which a double bond has been introduced at the 24-25 position.
tricaine A benzoate ester that has formula C9H11NO2.
coproporphyrinogen III A coproporphyrinogen that has formula C36H44N4O8.
4-hydroxyestrone
norfluoxetine
clinofibrate
alyssin
9,10-dihydroxy-12-octadecenoic acid
methotrexate-alpha glutamate
Toluene The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent.
2,4-difluoro-N-(2-(methyloxy)-5-(4-(4-pyridazinyl)-6-quinolinyl)-3-pyridinyl)benzenesulfonamide
Endocrine Disruptors
arsenotriglutathione
tranilast
Ketone Bodies A carbonyl compound produced as a water-soluble byproduct when fatty acids are broken down for energy in the liver. There are three endogenous ketone bodies: acetone, acetoacetic acid, and (R)-3-hydroxybutyric acid; others may be produced as a result of the metabolism of synthetic triglycerides.
mipafox A phosphoramide that has formula C6H16FN2OP.
Hydroxyurea A member of the class of ureas that is urea in which one of the hydrogens is replaced by a hydroxy group. An antineoplastic used in the treatment of chronic myeloid leukaemia as well as for sickle-cell disease.
NAADP
dofetilide
7H-dibenzo(c,g)carbazole A carbazole that has formula C20H13N.
SK&F 104078
tris(chloroethyl)phosphate
1,2-Dihydroxybenzene-3,5-Disulfonic Acid Disodium Salt
anemonin A butenolide that has formula C10H8O4.
Stavudine A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase
Pentaerythritol Tetranitrate A pentaerythritol nitrate in which all four hydroxy groups of pentaerythritol have been converted to the corresponding nitrate ester. It is a vasodilator with properties similar to those of glyceryl trinitrate, but with a more prolonged duration of action, and is used for treatment of angina pectoris. It is also one of the most powerful high explosives known and is a component of the plastic explosive known as Semtex.
prostaglandin I3
Butyrates
nabumetone
Rhamnose A deoxymannose sugar that is the 6-deoxy derivative of hexose.
apaziquone
RB 101
Ytterbium A lanthanoid atom that has formula Yb.
Geraniin A tannin that has formula C41H28O27.
A 61603
5,7-Dihydroxytryptamine
tautomycin A carboxylic ester that has formula C41H66O13.
mono-n-hexyl phthalate
Aflatoxin M1 A member of the class of aflatoxins that is aflatoxin B1 in which the hydrogen at position 9a is replaced by a hydroxy group.
15-keto-5,8,11,13-eicosatetraenoic acid
mono-N-demethyladinazolam
cirazoline
Bupropion A propanone that is propan-1-one substituted by a tert-butylamino group at position 2 and a 3-chlorophenyl group at position 1.
aspartyl-glutamyl-valyl-aspartal
lucidenic acid N A tetracyclic triterpenoid that is 25,26,27-trinorlanost-8-en-24-oic acid substituted by hydroxy groups at positions 3 and 7 and oxo groups at positions 11 and 15 respectively (the 3beta,5alpha,7beta stereoisomer). Isolated from the fruiting bodies of Ganoderma lucidum, it exhibits cytotoxicity against tumour cells.
Ethoxyquin A quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6.
benzo(c)chrysene
lucidenic acid Q
Acenocoumarol
7-dehydrocholesterol
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine
2-methoxyidazoxan A benzodioxine that is idazoxan substituted at position 2 by a methoxy group.
deslorelin
Mercury
indolo(3,2-b)carbazole
Sotalol A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is sustituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.
Nalorphine A morphinane alkaloid that has formula C19H21NO3.
Dimethyl Sulfoxide A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.
traxoprodil mesylate
Oxidopamine A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease).
Glyoxal
rostafuroxin
Pesticides
Dmt-NMe-Ala-Aba-Gly-NH2
aceanthrylene An ortho- and peri-fused polycyclic arene that has formula C16H10.
propargyl alcohol
3-O-tert-butoxycarbonylspectaline
Antigens Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
Antipsychotic Agents Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
2'-hydroxychalcone A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2'.
ceftazidime monobactam
Hypolipidemic Agents A substance used to treat hyperlipidemia (an excess of lipids in the blood).
(4-amidinophenyl)methanesulfonyl fluoride
chromium hexavalent ion
Etazolate
Sodium Dodecyl Sulfate An alkyl sulfate that has formula C12H25NaO4S.
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
Pyridoxal Phosphate
1-((3-benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
1-pentyl-3-(1-naphthoyl)indole
Aflatoxins Any of a group of related and highly toxic secondary metabolites (mycotoxins) whose main structural feature is a fused coumarin-bis(dihydrofuran) ring system and which are produced by strains of the moulds Aspergillus flavus or A. parasiticus, together with further metabolites of these mycotoxins
Luteolin A 3'-hydroxyflavonoid which is thought to play an important role in the human body as an antioxidant, a free radical scavenger, an agent in the prevention of inflammation, a promoter of carbohydrate metabolism, and an immune system modulator.
fexaramine A biphenyl that has formula C32H36N2O3.
dextrallorphan
4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide
4-(4-(bis(4-fluorophenyl)methyl)piperazin-1-ylbut-2-enyloxy)acetic acid
methyl demeton
Tobramycin A amino cyclitol glycoside that is kanamycin B lacking the 3-hydroxy substituent from the 2,6-diaminoglucose ring.
9-methoxycamptothecin
trimethobenzamide The amide obtained by formal condensation of 3,4,5-trihydroxybenzoic acid with 4-[2-(N,N-dimethylamino)ethoxy]benzylamine. It is used to prevent nausea and vomitting in humans.
heparin-sepharose
Sodium
eburnamonine An alkaloid that has formula C19H22N2O.
Phosphorous Acids
AAL 881
Clomiphene A tertiary amine that has formula C26H28ClNO.
piclamilast A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3-(cyclopentyloxy)-4-methoxybenzoic acid with the primary amino group of 3,5-dichloropyridin-4-amine.
thymoquinone
1,7-diphenyl-5-heptene-3-one
xyloglucan A glucan that consists of a backbone of alpha-(1->4)-linked glucose residues, most of which are substituted with (1->6)-linked xylose side-chains.
bisindolylmaleimide I An indole that has formula C25H24N4O2.
ZD 2574
trimethyloxamine
Corticosterone A 21-hydroxy steroid that is consists of pregn-4-ene substituted by hydroxy groups at positions 11 and 21 and oxo groups at positions 3 and 20. Corticosterone is a 21-carbon steroid hormone of the corticosteroid type produced in the cortex of the adrenal glands.
kaempferol-7-methyl ether
(Cr(salprn)(H2O)2)ClO4
cyclohexyl methylphosphonofluoridate
heme arginate
Sodium, Dietary
Excitatory Amino Acid Antagonists Any substance which inhibits the action of receptors for excitatory amino acids.
Epoprostenol
CFM 1
1-(5-isoquinolinylsulfonyl)-3-methylpiperazine
BAG956
solifenacin
polydatin
Anions
desethylamodiaquine
1-benzylimidazole
zymosterol A 3beta-sterol that has formula C27H44O.
Halogenated Diphenyl Ethers
Pentoxifylline
5-amino-7-(2-phenylethyl)-2-(2-furyl)pyrazolo(4,3-e)-1,2,4-triazolo(1,5-c)pyrimidine
L-826266
coenzyme Q10 A ubiquinone having a side chain of 10 isoprenoid units. In the naturally-occurring isomer, all isoprenyl double bonds are in the E- configuration.
N-acetylsphingosine A N-acylsphingosine that has formula C20H39NO3.
telithromycin
2-(2-(2-dimethylaminothiazol-5-yl)ethenyl)-6-(2-(fluoro)ethoxy)benzoxazole
TAPI-2
digallic acid A gallate ester that has formula C14H10O9.
Neomycin A broad-spectrum highly toxic antibiotic or mixture of antibiotics produced by a streptomyces (Streptomyces fradiae) and used medically especially to treat local infections.
Acetylcarnitine
4-hydroxyequilenin-o-quinone
4-nitroaniline A nitroaniline carrying a nitro group at position 4.
4-benzyloxy-3,5-dimethoxy-N-(1-(dimethylaminocyclopently)methyl)benzamide
gluconic acid
microcrystalline cellulose
6-hydroxybenzbromarone
gliquidone
N-(2-thiolethyl)-2-(2-(N'-(2,6-dichlorophenyl)amino) phenyl)acetamide
Pertussis Toxin
exenatide
Shuangling Fuzheng anticancer preparation
piperidine An azacycloalkane that is cyclohexane in which one of the carbons is replaced by a nitrogen. It is a metabolite of cadaverine, a polyamine found in the human intestine.
asperulosidic acid
casiopeina II
heptenophos A trialkyl phosphate that has formula C9H12ClO4P.
SB 277011
isobavachin
(2E,4E,6E,10E)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid
Hydrochloric Acid
olopatadine
proanthocyanidin A flavonoid oligomer obtained by the the condensation of two or more units of hydroxyflavans.
4-methylhistamine An aralkylamino compound that is histamine bearing a methyl substituent at the 5 position on the ring.
entacapone
hecogenin A triterpenoid that has formula C27H42O4.
BeKm-1 toxin
MT19c compound
Firemaster BP-6
IMMU-110
2-methyl-5-isopropenylcyclohex-2-enone oxime
1,5-bis(2-bromophenyl)penta-1,4-dien-3-one
KB R7785
rhodioloside
4-methylumbelliferyl beta-D-ribopyranoside
di-n-octyl phthalate A 2-hydroxyisophthalic acid that has formula C24H38O4.
Tetrahydropapaveroline
valilactone
sinensetin A flavonoid that has formula C20H20O7.
4,4'-(1,2-dimethyl-1,2-ethanediyl)bis-2,6-piperazinedione
aniline A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens.
LM11A-31
10-propargyl-10-deazaaminopterin
embelin A hydroxybenzoquinone that is 1,4-benzoquinone substituted by hydroxy groups at positions 2 and 5 and an undecyl group at position 3. Isolated from, Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease.
Technetium A manganese group element atom that has formula Tc.
O,O-diisopropyl-S-benzylthiophosphate
Rolipram
lithocholic acid acetate
dibenzo(a,l)pyrene diol epoxide
2,6-xylenol
4-vinylpyridine
rimabotulinumtoxinB
nickel sulfide
abrine
inositol-1,3,4,5,6-pentakisphosphate
Tropicamide
RES 701-1
botulinum toxin type E
Strontium An alkaline earth metal atom that has formula Sr.
HS 1030
2,3-dimethylhydroquinone
norgestimate, ethinyl estradiol drug combination
xanomeline A tetrahydropyridine that has formula C14H23N3OS.
4-nitrophenyl 2-propylmethylphosphonate
1,2-didecanoylglycerol A 1,2-diglyceride that has formula C23H44O5.
gamma-sitosterol
Zearalenone A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species.
anthra(1,9-cd)pyrazol-6(2H)-one
norverapamil
tiaprofenic acid An aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group.
Pyrazines
pranlukast
Meperidine
Clofazimine
4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-3H-cyclopenta(c)quinoline
EMD 534085
Azepines
2-azido-3-iodo-7,8-dibromodibenzo-1,4-dioxin
CB 3717 A N-acyl-L-glutamic acid that has formula C24H23N5O6.
3,3',5,5'-tetrahydroxystilbene
muraglitazar
5-(4-(2-(2-ethyl-4-methyl-6-oxo-1,6-dihydro-1-pyrimidinyl)ethoxy)phenylmethyl)thiazolidine-2,4-dione
befloxatone
procyanidin
(3,4-dihydroxyphenylamino)-2-imidazoline
4-Chloromercuribenzenesulfonate
N-(3-(aminomethyl)benzyl)acetamidine
alpha-viniferin A nine-membered macrocycle that incorporates three 6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuranyl moieties as part of the cyclic skeleton. It is isolated from Caragana chamlague Lamarck and exhibits significant inhibitory effect towards the enzyme acetylcholinesterase (EC 3.1.1.7).
AM 251
Diazinon A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4.
Silicon Compounds
5-hydroxymethylfurfural A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo.
drospirenone
resiniferatoxin A diterpenoid that has formula C37H40O9.
Sulfaphenazole A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent.
Buprenorphine A morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substituted by cyclopropyl, and a hydrogen at position 7 is substituted by a 2-hydroxy-3,3-dimethylbutan-2-yl group.
sodium metasilicate
Contraceptives, Oral
5-(4-methylpiperazin-1-yl)-2-(2'-(3,4-dimethoxyphenyl)-5'-benzimidazolyl)benzimidazole
Epichlorohydrin An epoxide that is 1,2-epoxypropene in which one of the methyl hydrogens is substituted by chlorine.
Methyl n-Butyl Ketone
Ozone An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pleasant odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.
copper pyruvaldehyde bis(N(4)-methylthiosemicarbazone) complex
aldosterone 18-glucuronide
Cholesterol
Cholecystokinin
1,2,7,8-tetrachlorodibenzofuran
flosulide
Noscapine
18-hydroxydeoxycorticosterone
juzentaihoto
bisacurone
CHF 5022
alternariol monomethyl ether An organic molecular entity that has formula C15H24O5.
Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-acetylhydrazide
lovastatin-niacin combination
Platinum A nickel group element atom that has formula Pt.
ruboxistaurin
pentrinitrol
Aminooxyacetic Acid
Phosphatidylinositols
Harmine A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.
Indoles Any compound containing an indole skeleton.
homochlorocyclizine
Porphobilinogen A dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively.
N-(3-fluorophenyl)-1-((4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine
5,10,15,20-(etra(N-methyl-3-pyridyl))-26,28-diselenasapphyrin chloride
2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline
icajine
Dicofol A tertiary alcohol that is DDT in which the benzylic hydrogen has been replaced by a hydroxy group.
4-hydroxypropranolol
Ribonucleosides
GW 501516 An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively.
8-bromocyclic GMP
D-161 compound
Adrenergic beta-Antagonists
AST 120
benzyloxyresorufin
Androgens
ethion An organic thiophosphate that is S,S'-methanediyl bis[dihydrogen (phosphorodithioate)] in which all the hydroxy groups have been converted to their corresponding ethyl esters respectively. Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase ( EC 3.1.1.7).
8-Bromo Cyclic Adenosine Monophosphate
Cyclohexenes
liarozole
4-(4-bromophenyl)-2,3-dihydro-N,3-bis(3,4,5-trimethoxyphenyl)-2-oxoidmi-dazole-1-carboxamide
Thromboxane A2 A thromboxane which is produced by activated platelets and has prothrombotic properties: it stimulates activation of new platelets as well as increases platelet aggregation.
SU 6656
F2-Isoprostanes
G(M3) Ganglioside
8-isoprostaglandin E2
isobutyl alcohol
withaferin A A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 27 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Physalis longifolia, it exhibits cytotoxic activity.
Carbapenems The class of beta-lactam antibiotics that whose members have a carbapenem skeleton which is variously substituted at positions 3, 4, and 6.
acetyl-aspartyl-glutamyl-valyl-aspartic acid p-nitroanilide
6-anilino-5,8-quinolinedione A quinolone that is quinoline-5,8-dione in which the hydrogen at position 6 is replaced by an anilino group.
brassinin A dithiocarbamic ester that has formula C11H12N2S2.
3-hydroxypregn-4-en-20-one
AL-10 compound
amlodipine, atorvastatin drug combination
Phosphoenolpyruvate A monocarboxylic acid anion resuting from selective deprotonation of the carboxy group of phosphoenolpyruvic acid.
4-propylphenol An alkylbenzene that has formula C9H12O.
virodhamine
benzidine A biphenyl that has formula C12H12N2.
hydroxymethylbilane
N-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5H-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide
IMOL S-140
methyleugenol
Carmustine
Calcium
corexit 9500
O-(chloroacetylcarbamoyl)fumagillol
tetrakis(4-benzoic acid)porphyrin
nociceptin (1-13)-NH2, Phe(1)-psi(CH2-NH)-Gly(2)-
sarpogrelate
ethylene glycol monohexyl ether
Hydrocarbons, Brominated
1,4-bis(4-hydroxyiminomethylpyridinium)butane dibromide
dihydrosanguinarine A benzophenanthridine alkaloid obtained by selective hydrogenation of the 13,14-position of sanguinarine.
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone
N(1), N(12)-diethylspermine
2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-2-hepten-6-ynamide
Flufenamic Acid
7-hydroxy-4-trifluoromethylcoumarin
spiroxamine The spiroketal resulting from the formal condensation of 4-tert-butylcyclohexanone with 3-[ethyl(propyl)amino]propane-1,2-diol. An inhibitor of ergosterol synthesis, it is a broad spectrum agricultural fungicide used particularly against powdery mildew in the production of cereals, bananas and grapes.
3-caffeoyl-4-dicaffeoylquinic acid
bathophenanthroline
HOE 140, desArg(10)-
VX680
inecalcitol
Humic Substances
ammonium trichloro(dioxoethylene-O,O'-)tellurate
3-oxocholan-24-oic acid
CP-470711
butamifos A C-nitro compound that has formula C13H21N2O4PS.
Chlorophyllides Chlorophylls lacking the terpenoid side chain such as phytyl or farnesyl.
glucoraphanin A glucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 5-(methylsulfinyl)-N-(sulfooxy)pentanimidoyl group at the anomeric sulfur.
3-nitroperylene A phenanthrene that has formula C20H11NO2.
dexpanthenol
2-arachidonylglycerol
diacetyldiphenylurea bisguanylhydrazone
Diazooxonorleucine
3-hydroxydesloratadine
SL 327
atazanavir
estradiol sulfate
Dimethylnitrosamine
Iodocyanopindolol An indole that is 1H-indole substituted at positions 2, 3 and 7 by cyano, iodo and 3-(tert-butylamino)-2-hydroxypropoxy groups respectively.
tanshinone II A sodium sulfonate
limonene
Carbon Dioxide A one-carbon compound with formula CO2 in which the carbon is attached to each oxygen atom by a double bond. A colourless, odourless gas under normal conditions, it is produced during respiration by all animals, fungi and microorganisms that depend directly or indirectly on living or decaying plants for food.
L 655238
Sterigmatocystin An organic heteropentacyclic compound whose skeleton comprises a xanthene ring system ortho-fused to a dihydrofuranofuran moiety. The parent of the class of sterigmatocystins.
lomeguatrib
carveol A limonene monoterpenoid that is cyclohex-2-en-1-ol substituted by a methyl group at position 2 and a prop-1-en-2-yl group at position 5.
Diminazene A triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group.
mequitazine
daidzin
Naloxone A morphinane alkaloid that has formula C19H21NO4.
phorbol-12-myristate
N-(3-furylmethyl)eicosa-5,8,11,14-tetraenamide
17-benzyl-5-androstane-3,17-diol
nitroaspirin
1-(beta-naphthylmethyl)-6,7-dihydroxy-1,2,3,4-tetra-hydroisoquinoline
azetidine-2,4-dicarboxylic acid
Ethyl Methanesulfonate A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol.
N2 Dental Cement
2-(4-(2-(3,4-dichlorophenyl)ethyl)phenylamino)benzoic acid
2,4-nonadienal
bullatacin A polyketide that has formula C37H66O7.
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
thorium nitrate
Erythrosine
dithiol
spiro(imidazo-(1,2-a)pyridine-3,2-indan)-2(3H)-one
Guaiacol
Trinitrobenzenesulfonic Acid
methoxyamine
Polyglutamic Acid
ABT-100
Digitoxigenin A 5beta-cardenolide having hydroxy substituents at the 3beta- and 14beta-positions.
hexaarginine amide
propylparaben
roflumilast N-oxide
CDP 840
cypermethrin A carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyphenyl)acetonitrile.
gemcitabine A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.
N3-(4-(4-morpholinocyclohexyl)phenyl)-1-(pyridin-2-yl)-1H-1,2,4-triazole-3,5-diamine
phenylpropylene oxide
cholesterol alpha-oxide
Trifluperidol
styrofoam
Cisapride The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere.
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene A BODIPY compound that has formula C9H7BF2N2.
N-methylhistamine
cholest-5-en-3 beta,7 alpha-diol
O(2)-vinyl-1-(pyrrolidin-1-yl)diazen-1-ium-1,2-diolate
di-n-butyltin
D-JNKI-1
palladium chloride
18-methoxycoronaridine
9-fluorenone
Cetylpyridinium A pyridinium ion that has formula C21H38N.
Quaternary Ammonium Compounds Derivatives of ammonium compounds, (NH4(+))Y(-), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually hydrocarbyl) groups.
nonanal A fatty aldehyde formally arising from reduction of nonanoic acis. Metabolite observed in cancer metabolism.
1,3-butadiene
alpha-cobratoxin
Thiotepa
7-methoxy-4-(aminomethyl)coumarin
berbamine An isoquinoline that has formula C37H40N2O6.
bis(12)-hupyridone
Pyridoxine A hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2.
netoglitazone
3,7,11-trimethyldodeca-2,6,10-trienoic acid hexadecylamide
n-propylbenzene
Maleic Hydrazide A pyridazinone that has formula C4H4N2O2.
Porfiromycin
4-aminobenzamide
4-(4-dimethylaminostyryl)-1-methylpyridinium
lysophosphatidylglycerol
Carticaine
tauromuricholic acid
1,2-cyclohexanediamine
raltegravir
Cephaloridine
calycopterin
pretilachlor An anilide that has formula C17H26ClNO2.
iodoresiniferatoxin
Procyclidine
chromium dinicocysteinate
4,4'-dinitro-2,2'-stilbenedisulfonic acid
4-((3-bromophenyl)amino)-6,7-dimethoxyquinazoline
3,3'-Dichlorobenzidine A biphenyl that has formula C12H10Cl2N2.
benzo(a)pyrene-7,8-dihydrodiol-9,10-epoxide-DNA
Delavirdine
sodium selenide An inorganic sodium salt having selenide as the counterion.
SD-208
2-methylphenanthrene
1,2,3,4,6,7,8-heptachlorodibenzofuran A chlorin that has formula C12HCl7O.
4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)benzoic acid
toxin II (Anemonia sulcata)
5-methoxy-1-methyl-2-(n-propylamino)tetralin
cyclopenta(c,d)pyrene A pyrene that has formula C18H10.
Menhaden oil
Hydrazines Hydrazine (diazane) and its substituted derivatives.
N-acetyl-4-benzoquinoneimine
PS1145
norathyriol A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7. Isolated from Garcinia mangostana and Maclura pomifera, it exhibits inhibitory activity against protein kinase C.
ponkoranol
n-dodecane
4'-hydroxywarfarin
naphthoresorcinol
Thyronines
2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide
chromium (D-Phenylalanine)3
Fructose A ketohexose that is an isomer of glucose.
Bromocriptine An indole alkaloid that has formula C32H40BrN5O5.
butyl phosphorotrithioate
6-hydroxytaxol
melamine A trimer of cyanamide, with a 1,3,5-triazine skeleton.
Uracil
gedunin A pentacyclic triterpenoid natural product found particularly in Azadirachta indica and Cedrela odorata.
thymeleatoxin
1,8-diaminonaphthalene
Aminoquinolines
N-methyl-N-benzylnitrosamine
3-(3-chloro-4-hydroxyphenylamino)-4-(4-nitrophenyl)-1H-pyrrole-2,5-dione
sphingosine 1-phosphate A phosphosphingolipid that consists of sphingosine having a phospho group attached at position 1
mono-(2-ethylhexyl)phthalate The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.
N-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide
Indocyanine Green A benzoindole that has formula C43H47N2NaO6S2.
1-methyl-4-phenyl-2,3-dihydropyridinium
Hypoxanthine A purine nucleobase that consists of purine bearing an oxo substituent at position 6.
Tretinoin
nilutamide
mesulergine A member of the class of ergot alkaloids that is known to act on serotonin and dopamine receptors.
Ethylnitrosourea
phenyl biguanide A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a phenyl group.
alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid
ponceau 4R
3',4',7-trihydroxyisoflavone A 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'.
arachidin-1
ethanolamine O-sulfate
2-Propanol
estradiol, norethindrone drug combination
hydroxyoctadecadienoic acid
mulberroside A
Folic Acid Antagonists An antimetabolite that impairs the action of folic acids
Ranitidine A member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease.
Thalidomide
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine
4',5'-bis(1,3,2-dithioarsolan-2-yl)fluorescein
macrophage stimulatory lipopeptide 2
PBOX-6
pheomelanin
isomalathion
perfluorodecanoic acid A fluoroalkanoic acid that is perfluorinated decanoic acid.
Graphite An allotropic form of the element carbon consisting of layers of hexagonally arranged carbon atoms in a planar condensed ring system (graphene layers). The layers are stacked parallel to each other in a three-dimensional crystalline long-range order. There are two allotropic forms with different stacking arrangements, hexagonal and rhombohedral. The chemical bonds within the layers are covalent with sp(2) hybridization and with a C--C distance of 141.7 pm. The weak bonds between the layers are metallic with a strength comparable to van der Waals bonding only.
4-ethynylbiphenyl
tandospirone
mafosfamide
Sulpiride
Tetraisopropylpyrophosphamide
DDMS
flunisolide A cyclic ketal that has formula C24H31FO6.
naphthol AS-E phosphate
indenoindole
3,5-bis(2-fluorobenzylidene)piperidin-4-one
methyllycaconitine A diterpenoid that has formula C37H50N2O10.
2-acetylphenothiazine
olomoucine
11,14,15-trihydroxyeicosa-5,8,12-trienoic acid
Metanephrine
HMR 1098
Melphalan A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.
U 40481
4-mercuribenzoate
methyl 2,5-dihydroxycinnamate
1,4,5,8-naphthalenetetracarboxylic diimide
Heroin
idobenzamide
N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide A member of the class of isoquinolines that is isoquinoline-8-sulfonamide which is substituted by chlorine at position 5 and in which the sulfonamide nitrogen is substituted by a 2-aminoethyl group. It is an inhibitor of casein kinase I.
2,3,4,2',3',4'-hexachlorobiphenyl
brilliant blue An organic molecular entity that has formula C37H34N2Na2O9S3.
4-oxo-2-nonenal
(N-(1-(((cyanoimino)(5-quinolinylamino) methyl) amino)-2,2-dimethylpropyl)-2-(3,4-dimethoxyphenyl)acetamide)
glycoursodeoxycholic acid
vinyl bromide
neoechinulin
Hesperidin A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.
Riboflavin D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide.
tPA stop
pinosylvin A stilbenol that has formula C14H12O2.
OXT-328
N-ethyl-3-toluamide
2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein
pregnanediol-3 alpha-glucuronide
Dicamba A methoxybenzoic acid that is O-methylsalicylic acid substituted by chloro groups at positions 3 and 6.
rhodostomin
Polychlorinated Biphenyls
4,4'-diphenylmethane diisocyanate
benzo(a)pyrene-7,8,9,10-tetrol
laquinimod
2-amino-1-methyl-6-(4-hydroxyphenyl)imidazo(4,5-b)pyridine
Polylysine A poly(amide) polymer, composed of poly(lysine) macromolecules.
11-dehydro-thromboxane B2 A thromboxane obtained by formal oxidation of the hemiacetal hydroxy function of thromboxane B2.
6alpha-ethyl-23(S)-methylcholic acid
cabergoline An N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached to the carboxamide nitrogen are substituted by a 3-(dimethylamino)propyl group and an N-ethylcarbamoyl group. A dopamine D2 receptor agonist, cabergoline is used in the management of Parkinson's disease and of disorders associated with hyperprolactinaemia.
imatinib
3-azibutanol
piplartine A cinnamamide that has formula C17H19NO5.
Trioxsalen
broussochalcone A
salubrinal
Gossypol A polyphenol that has formula C30H30O8.
Procaine A benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol.
BAY 11-7085
Dactinomycin
antrocin
Bromine A monoatomic bromine that has formula Br.
azoxystrobin An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture.
Sulfur Compounds
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
pirfenidone
gimeracil
N(6)-cyclopentyladenosine
Normetanephrine
diethofencarb A carbamate ester that is the isopropyl ester of (3,4-diethoxyphenyl)carbamic acid. A fungicide with strong activity against Botrytis cinerea and benzimidazole-resistant strains of Botryis spp.
cobra venom factor
FOE 5043
proxyfan
methylene bromide
morphiceptin
EUK-134
4-nitroacetophenone A member of the class of acetophenones that is acetophenone substituted at the para-position by a nitro group.
ZK 119010
mepenzolic acid
17-ethynyl-5-androstene-3, 7, 17-triol
Ruthenium An iron group element atom that has formula Ru.
Deoxyadenosines
Methotrexate A pteridine that has formula C20H22N8O5.
Guanosine Triphosphate
NSC 724998
caprylic aldehyde
benzophenone
1,2,3,7,8-pentachlorodibenzofuran A chlorin that has formula C12H3Cl5O.
cefepime A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.
verbenone
2-(4-((dimethylamino)carbonyl)-3-fluorophenyl)-alpha,alpha-dimethyl-N-1,3,4-thiadiazol-2-yl-5H-(1)benzopyrano(2,3-b)pyridin-5-acetamide
hypotaurine An aminosulfinic acid comprising ethylamine having the sulfo group at the 2-position.
SR 48692
perchlorate A monovalent inorganic anion obtained by deprotonation of perchloric acid.
naphtho(1,2-b)fluoranthene A carbopolycyclic compound that has formula C24H14.
Bendroflumethiazide A sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group.
zotarolimus
1H-(1,2,3)oxadiazolo(4,4-a)quinoxalin-1-one
sulindac sulfide An aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity.
Flurbiprofen A fluorobiphenyl that has formula C15H13FO2.
10-nitro-oleic acid
Methyl Methanesulfonate A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol.
Imidazoles A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton.
bopindolol
Sodium Iodide A metal iodide salt with a Na(+) counterion.
bis(maleimido)ethane
Lu 28-179
heminordihydroguaiaretic acid
drotaverin
palmidrol
inostamycin
estradiol 3,17-disulfate
amibegron
pentaacetyl geniposide
testosterone glucuronate
dioctanoylphosphatidic acid
vasopressin, Phe(2)-Ile(3)-Hgn(4)-Orn(iPr)(8)-
Alcohols A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom.
S(alpha)-methyl-6-(2-quinolinylmethoxy)-2-naphthaleneacetic acid
Allantoin An imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen.
dihydrofluorescein
Meclofenamic Acid An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis.
6-aminoindazole
picrotoxinin A furopyran that has formula C15H16O6.
2-(4,5-dihydro-1,3-thiazol-2-ylthio)-1-(3,4-dihydroxyphenyl)ethanone
6,6'-bis(2,3-dimethoxybenzoyl)-alpha,alpha-trehalose
adenosine 3'-phosphate-5'-phosphate
2,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
Oxazines
Nitrosourea Compounds
JTP 4819
SB 225002
terbufos An organothiophosphate insecticide that has formula C9H21O2PS3.
A-582941
roscovitine
terpinenol-4
SR 144190
2,2',4,5'-tetrabromodiphenyl ether An organobromine compound that has formula C12H6Br4O.
Melarsoprol A triazine that has formula C12H15AsN6OS2.
indium trichloride
N-(2-fluoro-4-((2-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)carbonylaminopyridin-4-yl)oxy)phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Lithium Chloride A metal chloride salt with a Li(+) counterion.
ziprasidone A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms.
Protoporphyrins
2',4'-dihydroxychalcone
cordycepin A 3'-deoxyribonucleoside that has formula C10H13N5O3.
Lithium Carbonate A carbonate salt that has formula CO3.2Li.
pyrvinium
Progesterone A C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species.
naphthyl sulfate
tetrapropylammonium A quarternary ammonium cation with four propyl substituents around the central nitrogen.
Xenon
Quinones Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).
alternariol A benzochromenone that is 6H-benzo[c]chromen-6-one which is substituted by a methyl group at position 1 and by hydroxy groups at positions 3, 7, and 9. It is the most important mycotoxin produced by the black mould Alternaria species, which are the most common mycoflora infecting small grain cereals worldwide.
bromacil A racemate consisting of equimolar concentrations of (R)- and (S)-bromacil.
2,2',4,6'-tetramethoxystilbene
4-O-methyl-12-O-tetradecanoylphorbol 13-acetate
Shiga Toxin
antroquinonol An enone that is cyclohex-2-en-1-one substituted by a hydroxy group at position 4, methoxy groups at positions 2 and 3, a methyl group at position 6 and a (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl group at position 5 (the 4R,5R,6R stereoisomer). It is isolated from the solid-state fermented mycelium of the fungus Antrodia camphorata and has been found to exhibit potent cytotoxicity against a number of human cancer cell lines.
iron(III)-ascorbic acid complex
destruxin B
L-826,141
Phenethylamines
scutellarin The glycosyloxyflavone which is the 7-O-glucuronide of scutellarein.
Rifabutin
quercitrin A quercetin O-glycoside that is quercetin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage.
Trichlorfon
estrone sulfate
Methylhistamines
tetraiodothyroacetic acid
polychlorodibenzo-4-dioxin
1-Propanol
Methoxydimethyltryptamines
Benzoquinones A quinone that is a cyclohexadiene which is substituted by two oxo groups.
Floxuridine
sodium cyanoborohydride
SQ 29548
Gemfibrozil An aromatic ether that has formula C15H22O3.
Phenylglyoxal
prostaglandin A2 A prostaglandins A that has formula C20H30O4.
Fenoprofen Propanoic acid in which one of the hydrogens at position 2 is substituted by a 3-phenoxyphenyl group. A non-steroidal anti-inflammatory drug, the dihydrate form of the calcium salt is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding.
2-(2-aminoethyl)pyridine
calycosin-7-O-beta-D-glucoside
1-(4-ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane
tributyl citrate
phenylmethylpyrazolone
indeno(1,2,3-cd)pyrene A pyrene that has formula C22H12.
Heptachlor A cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8.
olivetol A member of the class of resorcinols that is resorcinol in which the hydrogen at position 5 is replaced by a pentyl group.
Acyclovir An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9.
BEP protocol
2,4,6-trichlorophenyl 4-nitrophenyl ether
Trityl Compounds
Ro 16-6491
glimepiride A N-acylurea that has formula C24H34N4O5S.
4-((3,4-(methylenedioxy)benzyl)amino)-6-methoxyquinazoline
Neurokinin A A polypeptide that has formula C50H80N14O14S.
indole-5-carboxamide
Cholic Acid A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.
3,4,5,4'-tetramethoxystilbene
tiadenol
nickel nitrate
molybdate A divalent inorganic anion obtained by removal of both protons from molybdic acid
sanshool
protoporphyrinogen A porphyrinogen that has formula C34H40N4O4.
naphthyl glucuronide
N-acetyl-S--(1,2,3,4,4-pentachlorobutadienyl)cysteine sulfoxide
Nitrofurantoin An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a (5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA.
1,2-epoxy-3-(p-nitrophenoxy)propane
danusertib
Sulfisoxazole A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms.
4-chlorobiphenyl A monochlorobiphenyl carrying a chloro substituent at position 4.
lauric acid A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.
cyazofamid A member of the class of imidazoles carrying dimethylsulfamyl, cyano, chloro and 4-tolyl substituents at positions 1, 2, 4 and 5 respectively. A fungicide used mainly for controlling Oomycete and Plasmodiophora diseases on potatoes and tomatoes. It is a skin and eye irritant and is moderately toxic to birds, most aquatic organisms, honeybees and earthworms.
methylmercury hydroxide
1,2,3,4,6,7-hexachlorinated naphthalene
myricetin A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7. It has been isolated from the leaves of Myrica rubra and other plants.
propionamide A monocarboxylic acid amide obtained by the formal condensation of propionic acid with ammonia.
trigonelline
illudin S A sesquiterpenoid that has formula C15H20O4.
2,3,2-tetramine A tetraamine that has formula C7H20N4.
L 750667
etafenone
Excitatory Amino Acid Agents
krestin
dipropylenetriamine-NONOate
7-chloro-3-imino-5-methyl-2-azabicyclo(4.1.0)heptane
diadenosine tetraphosphate
Amoxicillin A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.
gefitinib
2-cyclopentyl-5-(5-isoquinolylsulfonyl)-6-nitro-1H-benzo(D)imidazole
3-benzylidene camphor
p-271 peptide
adenosine 5'-methylenediphosphate A nucleoside diphosphate analogue that has formula C11H17N5O9P2.
ONO-AE1-329
CVT-10216
Enoxacin
2',4'-dichlorobenzamil amiloride
tanshinone
afromosin
diphenylthiourea
Ajmaline
Thioridazine A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.
zinc protoporphyrin A metalloprotoporphyrin that has formula C34H32N4O4Zn.
leupeptin A peptide that has formula C20H38N6O4.
epalrestat A monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy.
protoberberine
alpha-pyrrolidinovalerophenone
1,7-dimethyluric acid An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-1 and N-7. It is a metabolite of caffeine and is often found in human urine samples.
9-anthraldehyde
Gastrins A family of gastrointestinal peptide hormones that stimulate the secretion of gastric acid. Gastrin is found primarily in three forms: gastrin-34 ('big gastrin'), gastrin-17 ('little gastrin') and gastrin-14 ('minigastrin').
R 59949
Equilenin A 3-hydroxy steroid that has formula C18H18O2.
phenyl-N-tert-butylnitrone
4'-O-methylalpinumisoflavone
Androstenols
ABVD protocol
Phytanic Acid A branched-chain saturated fatty acid consisting of hexadecanoic acid carrying methyl substituents at positions 3, 7, 11 and 15.
Thapsigargin An organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations.
(2-boronoethyl)-cysteine
ciklavit
Pharmaceutical Vehicles
2,4-diaminohypoxanthine
2-hydroxymenthofuran
dimethyl sulfate The dimethyl ester of sulfuric acid.
4-iodo-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)cinnamoylamide
lapatinib
clasto-lactacysti