| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| 1,2,3,4-tetrahydro-7,12-dimethylbenz(a)anthracene | [no description available] | medium | 8 | 0 | | |
| hesperidin | [no description available] | medium | 15 | 0 | 3'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside | mutagen |
| neferine | [no description available] | medium | 2 | 0 | | |
| 8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 14 | 0 | guanosines | biomarker |
| tetradecanoylphorbol acetate | [no description available] | medium | 901 | 0 | acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester | antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator |
| tartrazine | [no description available] | medium | 1 | 0 | | |
| butylbenzyl phthalate | [no description available] | medium | 2 | 0 | benzyl ester | |
| perfluorooctanoic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | carcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic |
| zeranol | [no description available] | medium | 1 | 0 | macrolide | |
| caprylates | [no description available] | medium | 2 | 0 | fatty acid anion 8:0;
straight-chain saturated fatty acid anion | human metabolite;
Saccharomyces cerevisiae metabolite |
| organophosphonates | [no description available] | medium | 1 | 0 | divalent inorganic anion;
phosphite ion | |
| nerolidol | [no description available] | medium | 1 | 0 | nerolidol | |
| sesquiterpenes | [no description available] | medium | 20 | 0 | | |
| melatonin | [no description available] | medium | 49 | 0 | acetamides;
tryptamines | anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger |
| metformin | [no description available] | medium | 3 | 0 | guanidines | environmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic |
| anthracene | [no description available] | medium | 17 | 0 | acene;
anthracenes;
ortho-fused tricyclic hydrocarbon | |
| zingiberene | [no description available] | medium | 1 | 0 | cyclohexadiene;
sesquiterpene | |
| genistein | [no description available] | medium | 48 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
| canagliflozin | [no description available] | medium | 1 | 0 | C-glycosyl compound;
organofluorine compound;
thiophenes | hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor |
| chitosan | [no description available] | medium | 6 | 0 | | |
| chlorogenic acid | [no description available] | medium | 4 | 0 | cinnamate ester;
tannin | food component;
plant metabolite |
| epiglucan | [no description available] | medium | 1 | 0 | | |
| croton oil | [no description available] | medium | 100 | 0 | N-acyl-hexosamine | |
| tamoxifen | [no description available] | medium | 144 | 2 | stilbenoid;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator |
| letrozole | [no description available] | medium | 3 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| tenofovir | [no description available] | medium | 1 | 0 | nucleoside analogue;
phosphonic acids | antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor |
| pelargonidin | [no description available] | medium | 1 | 0 | 5-hydroxyanthocyanidin | plant metabolite |
| 2,3,4-tri-o-acetylarabinopyranosyl isothiocyanate | [no description available] | medium | 1 | 0 | | |
| allyl isothiocyanate | [no description available] | medium | 4 | 0 | alkenyl isothiocyanate;
isothiocyanate | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite |
| natriuretic peptide, c-type | [no description available] | medium | 1 | 0 | | |
| naringenin | [no description available] | medium | 7 | 0 | (2S)-flavan-4-one;
naringenin | expectorant;
plant metabolite |
| zingerone | [no description available] | medium | 1 | 0 | methyl ketone;
monomethoxybenzene;
phenols | anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent |
| guaiacol | [no description available] | medium | 4 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite |
| annonacin | [no description available] | medium | 2 | 0 | | |
| arginine | [no description available] | medium | 10 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| celecoxib | [no description available] | medium | 19 | 0 | organofluorine compound;
pyrazoles;
sulfonamide;
toluenes | cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| fluorodeoxyglucose f18 | [no description available] | medium | 5 | 0 | 2-deoxy-2-((18)F)fluoro-D-glucose;
2-deoxy-2-fluoro-aldehydo-D-glucose | |
| 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | medium | 1 | 0 | dihydroxyflavone;
monomethoxyflavone | antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| paclitaxel | [no description available] | medium | 9 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
| stavudine | [no description available] | medium | 1 | 0 | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| thymidine monophosphate | [no description available] | medium | 1 | 0 | thymidine 5'-monophosphate | fundamental metabolite |
| stampidine | [no description available] | medium | 1 | 0 | | |
| 1,4-dihydropyridine | [no description available] | medium | 1 | 0 | | |
| dihydropyridines | [no description available] | medium | 1 | 0 | | |
| ethyl methanesulfonate | [no description available] | medium | 10 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent |
| acrylamide | [no description available] | medium | 2 | 0 | acrylamides;
N-acylammonia;
primary carboxamide | alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin |
| diethylnitrosamine | [no description available] | medium | 37 | 0 | nitrosamine | carcinogenic agent;
hepatotoxic agent;
mutagen |
| benzo(a)pyrene | [no description available] | medium | 236 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mouse metabolite |
| methylnitrosourea | [no description available] | medium | 159 | 0 | N-nitrosoureas | alkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent |
| lyoniside | [no description available] | medium | 1 | 0 | | |
| cytellin | [no description available] | medium | 3 | 0 | | |
| chalcone | [no description available] | medium | 5 | 1 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
| D-fructopyranose | [no description available] | medium | 2 | 0 | cyclic hemiketal;
D-fructose;
fructopyranose | sweetening agent |
| nobiletin | [no description available] | medium | 2 | 0 | methoxyflavone | antineoplastic agent;
plant metabolite |
| oleanolic acid | [no description available] | medium | 11 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
| curcumin | [no description available] | medium | 40 | 0 | aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger |
| mocetinostat | [no description available] | medium | 13 | 0 | aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent |
| uric acid | [no description available] | medium | 2 | 0 | uric acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| vitamin k semiquinone radical | [no description available] | medium | 3 | 0 | | |
| beta-elemene | [no description available] | medium | 1 | 0 | beta-elemene | antineoplastic agent |
| citrinin | [no description available] | medium | 1 | 0 | | |
| calcium fructoborate | [no description available] | medium | 1 | 0 | | |
| kirenol | [no description available] | medium | 1 | 0 | diterpenoid | |
| ascorbic acid | [no description available] | medium | 39 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
| thymoquinone | [no description available] | medium | 2 | 0 | 1,4-benzoquinones | adjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite |
| quinazolines | [no description available] | medium | 5 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines | |
| reserpine | [no description available] | medium | 3 | 0 | alkaloid ester;
methyl ester;
yohimban alkaloid | adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic |
| transforming growth factor beta | [no description available] | medium | 30 | 0 | | |
| gold tetrachloride, acid | [no description available] | medium | 1 | 0 | | |
| chlorine | [no description available] | medium | 4 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite |
| urea | [no description available] | medium | 7 | 0 | isourea;
monocarboxylic acid amide;
one-carbon compound | Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| stilbenes | [no description available] | medium | 38 | 0 | stilbene | |
| 3'-hydroxypterostilbene | [no description available] | medium | 1 | 0 | | |
| tangeretin | [no description available] | medium | 4 | 0 | pentamethoxyflavone | antineoplastic agent;
plant metabolite |
| gingerol | [no description available] | medium | 3 | 0 | beta-hydroxy ketone;
guaiacols | antineoplastic agent;
plant metabolite |
| benzofurans | [no description available] | medium | 8 | 0 | | |
| dieckol | [no description available] | medium | 1 | 0 | aromatic ether;
oxacycle;
phlorotannin | anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger |
| gold | [no description available] | medium | 2 | 0 | copper group element atom;
elemental gold | |
| 5-methylcytosine | [no description available] | medium | 3 | 0 | methylcytosine;
pyrimidines | human metabolite |
| dinoprostone | [no description available] | medium | 30 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
| medroxyprogesterone acetate | [no description available] | medium | 47 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester | adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive |
| mk 0663 | [no description available] | medium | 6 | 0 | bipyridines;
organochlorine compound;
sulfone | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| betulin | [no description available] | medium | 1 | 0 | diol;
pentacyclic triterpenoid | analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite |
| bromochloroacetic acid | [no description available] | medium | 99 | 0 | 2-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound | |
| ellagic acid | [no description available] | medium | 10 | 0 | catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol | antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent |
| mangiferin | [no description available] | medium | 2 | 0 | C-glycosyl compound;
xanthones | anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
plant metabolite |
| alpha-chymotrypsin | [no description available] | medium | 2 | 0 | | |
| quercetin | [no description available] | medium | 26 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
| boeravinone b | [no description available] | medium | 1 | 0 | | |
| kolaviron | [no description available] | medium | 1 | 0 | 4'-methoxyflavanones;
biflavonoid;
dihydroflavonols;
ring assembly;
secondary alpha-hydroxy ketone | hepatoprotective agent;
plant metabolite |
| oleic acid | [no description available] | medium | 3 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
| losartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole;
imidazoles | angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist |
| flavanone | [no description available] | medium | 1 | 0 | flavanones | |
| hesperetin | [no description available] | medium | 8 | 0 | 3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone | antineoplastic agent;
antioxidant;
plant metabolite |
| emodin | [no description available] | medium | 4 | 0 | trihydroxyanthraquinone | antineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor |
| phorbolol myristate acetate | [no description available] | medium | 2 | 0 | | |
| folic acid | [no description available] | medium | 3 | 0 | folic acids;
N-acyl-amino acid | human metabolite;
mouse metabolite;
nutrient |
| berberine | [no description available] | medium | 4 | 0 | alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound | antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker |
| tris(2-pyridylmethyl)amine | [no description available] | medium | 9 | 0 | | |
| mangostin | [no description available] | medium | 1 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| syringic acid | [no description available] | medium | 1 | 0 | benzoic acids;
dimethoxybenzene;
phenols | plant metabolite |
| gallic acid | [no description available] | medium | 5 | 0 | trihydroxybenzoic acid | antineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite |
| catechin | [no description available] | medium | 27 | 0 | catechin | antioxidant;
plant metabolite |
| epigallocatechin gallate | [no description available] | medium | 10 | 0 | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite |
| parthenolide | [no description available] | medium | 1 | 0 | germacranolide | |
| estramustine | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid;
carbamate ester;
organochlorine compound | alkylating agent;
antineoplastic agent;
radiation protective agent |
| gramine | [no description available] | medium | 1 | 0 | aminoalkylindole;
indole alkaloid;
tertiary amino compound | antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist |
| leptin | [no description available] | medium | 7 | 0 | | |
| palladium | [no description available] | medium | 1 | 0 | metal allergen;
nickel group element atom;
platinum group metal atom | |
| rhodium | [no description available] | medium | 1 | 0 | cobalt group element atom | |
| ruthenium | [no description available] | medium | 1 | 0 | iron group element atom;
platinum group metal atom | |
| acetylcysteine | [no description available] | medium | 7 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
| n-formylmethionine | [no description available] | medium | 1 | 0 | L-methionine derivative;
N-formyl amino acid;
proteinogenic amino acid | metabolite |
| molybdenum | [no description available] | medium | 3 | 0 | chromium group element atom | micronutrient |
| thioctic acid | [no description available] | medium | 1 | 0 | dithiolanes;
heterocyclic fatty acid;
thia fatty acid | fundamental metabolite;
geroprotector |
| linoleic acid | [no description available] | medium | 19 | 0 | octadecadienoic acid;
omega-6 fatty acid | algal metabolite;
Daphnia galeata metabolite;
plant metabolite |
| arachidonic acid | [no description available] | medium | 16 | 0 | icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid | Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite |
| 13-hydroxy-9,11-octadecadienoic acid | [no description available] | medium | 2 | 0 | octadecadienoic acid | |
| 9-hydroxy-10,12-octadecadienoic acid | [no description available] | medium | 1 | 0 | HODE;
octadecadienoic acid | human metabolite;
metabolite;
mouse metabolite;
plant metabolite |
| lfm a13 | [no description available] | medium | 1 | 0 | | |
| pep005 | [no description available] | medium | 1 | 0 | | |
| fluorouracil | [no description available] | medium | 25 | 1 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| colchicine | [no description available] | medium | 8 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| 3-methylcholanthrene | [no description available] | medium | 200 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist;
carcinogenic agent |
| daphnetin | [no description available] | medium | 2 | 0 | hydroxycoumarin | |
| esculetin | [no description available] | medium | 3 | 0 | hydroxycoumarin | antioxidant;
plant metabolite;
ultraviolet filter |
| carboplatin | [no description available] | medium | 1 | 0 | | |
| imatinib mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor |
| rhodioloside | [no description available] | medium | 1 | 0 | glycoside | |
| glucose, (beta-d)-isomer | [no description available] | medium | 7 | 0 | D-glucopyranose | epitope;
mouse metabolite |
| morin | [no description available] | medium | 3 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent |
| endosulfan | [no description available] | medium | 1 | 0 | cyclic sulfite ester;
cyclodiene organochlorine insecticide | acaricide;
agrochemical;
GABA-gated chloride channel antagonist;
persistent organic pollutant |
| taxifolin | [no description available] | medium | 1 | 0 | taxifolin | metabolite |
| vanadium | [no description available] | medium | 6 | 0 | elemental vanadium;
vanadium group element atom | micronutrient |
| simvastatin | [no description available] | medium | 2 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug |
| malondialdehyde | [no description available] | medium | 18 | 0 | dialdehyde | biomarker |
| brucine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid;
organic heteroheptacyclic compound | |
| strychnine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid;
organic heteroheptacyclic compound | avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide |
| docetaxel anhydrous | [no description available] | medium | 5 | 0 | secondary alpha-hydroxy ketone;
tetracyclic diterpenoid | antimalarial;
antineoplastic agent;
photosensitizing agent |
| taurine | [no description available] | medium | 3 | 0 | amino sulfonic acid;
zwitterion | antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite |
| paeonol | [no description available] | medium | 1 | 0 | methoxybenzenes;
phenols | metabolite |
| cetirizine | [no description available] | medium | 1 | 0 | ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines | anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic |
| thalidomide | [no description available] | medium | 5 | 0 | phthalimides;
piperidones | |
| phytol | [no description available] | medium | 1 | 0 | | |
| acetone | [no description available] | medium | 38 | 0 | ketone body;
methyl ketone;
propanones;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent |
| carvone | [no description available] | medium | 1 | 0 | botanical anti-fungal agent;
carvones | allergen |
| aminolevulinic acid | [no description available] | medium | 9 | 0 | 4-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid | antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite |
| methyl 5-aminolevulinate | [no description available] | medium | 1 | 0 | delta-amino acid ester | antineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug |
| resveratrol | [no description available] | medium | 24 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
| 3,3'-diindolylmethane | [no description available] | medium | 3 | 0 | indoles | antineoplastic agent;
P450 inhibitor |
| cyclin d1 | [no description available] | medium | 40 | 0 | | |
| piperidines | [no description available] | medium | 15 | 0 | | |
| imiquimod | [no description available] | medium | 4 | 0 | imidazoquinoline | antineoplastic agent;
interferon inducer |
| 2'-hydroxyflavanone | [no description available] | medium | 1 | 0 | | |
| citronellol | [no description available] | medium | 1 | 0 | monoterpenoid | plant metabolite |
| fluoxetine | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
| raloxifene hydrochloride | [no description available] | medium | 13 | 0 | hydrochloride | bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| deuterium | [no description available] | medium | 1 | 1 | dihydrogen | |
| singlet oxygen | [no description available] | medium | 1 | 0 | chalcogen;
monoatomic oxygen;
nonmetal atom | macronutrient |
| adonixanthin | [no description available] | medium | 1 | 0 | carotenone;
cyclic ketone;
secondary alcohol | algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite |
| canthaxanthin | [no description available] | medium | 14 | 0 | carotenone | biological pigment;
Escherichia coli metabolite;
food colouring;
fungal metabolite |
| retinol | [no description available] | medium | 80 | 0 | retinol;
vitamin A | human metabolite;
mouse metabolite;
plant metabolite |
| astaxanthine | [no description available] | medium | 1 | 0 | carotenol;
carotenone | animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite |
| caftaric acid | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
| dimethylnitrosamine | [no description available] | medium | 34 | 0 | nitrosamine | geroprotector;
mutagen |
| nitrosobenzylmethylamine | [no description available] | medium | 3 | 0 | | |
| glucaric acid | [no description available] | medium | 17 | 0 | glucaric acid | antineoplastic agent |
| glucuronic acid | [no description available] | medium | 3 | 0 | D-glucuronic acid | algal metabolite |
| 3-amino-1,4-dimethyl-5h-pyrido(4,3-b)indole | [no description available] | medium | 2 | 0 | pyridoindole | |
| 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone | [no description available] | medium | 1 | 0 | butenolide | |
| lactic acid | [no description available] | medium | 3 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna metabolite |
| quinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | cofactor;
human xenobiotic metabolite;
mouse metabolite |
| betulinic acid | [no description available] | medium | 2 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite |
| 4-nitroquinoline-1-oxide | [no description available] | medium | 42 | 0 | C-nitro compound;
quinoline N-oxide | carcinogenic agent |
| ethylnitrosourea | [no description available] | medium | 17 | 0 | N-nitrosoureas | alkylating agent;
carcinogenic agent;
genotoxin;
mutagen |
| 6-paradol | [no description available] | medium | 3 | 0 | ketone;
monomethoxybenzene;
phenols | |
| lawsone | [no description available] | medium | 1 | 0 | | |
| naphthoquinones | [no description available] | medium | 3 | 0 | | |
| putrescine | [no description available] | medium | 9 | 0 | alkane-alpha,omega-diamine | antioxidant;
fundamental metabolite |
| mdl 72527 | [no description available] | medium | 1 | 0 | | |
| 7,12-dimethylbenz(a)anthracene-dihydrodiol | [no description available] | medium | 7 | 0 | | |
| methylnitronitrosoguanidine | [no description available] | medium | 82 | 0 | nitroso compound | alkylating agent |
| amooranin | [no description available] | medium | 1 | 0 | | |
| salvin | [no description available] | medium | 4 | 0 | abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid | angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite |
| azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent |
| apigenin | [no description available] | medium | 8 | 0 | trihydroxyflavone | antineoplastic agent;
metabolite |
| tannins | [no description available] | medium | 6 | 0 | | |
| copper sulfate | [no description available] | medium | 2 | 0 | metal sulfate | emetic;
fertilizer;
sensitiser |
| activins | [no description available] | medium | 1 | 0 | | |
| lonafarnib | [no description available] | medium | 1 | 0 | 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide | antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| andrographolide | [no description available] | medium | 3 | 0 | carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol | anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite |
| palmatine | [no description available] | medium | 1 | 0 | berberine alkaloid;
organic heterotetracyclic compound | plant metabolite |
| 4-o-methyl-12-o-tetradecanoylphorbol 13-acetate | [no description available] | medium | 8 | 0 | | |
| kynurenine | [no description available] | medium | 1 | 0 | aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline | human metabolite |
| formaldehyde | [no description available] | medium | 3 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| technetium | [no description available] | medium | 4 | 0 | manganese group element atom | |
| phenyl acetate | [no description available] | medium | 15 | 0 | benzenes;
phenyl acetates | |
| ethyl acetate | [no description available] | medium | 2 | 0 | acetate ester;
ethyl ester;
volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite |
| deoxycytidine | [no description available] | medium | 3 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 5-methyldeoxycytidine | [no description available] | medium | 1 | 0 | 2'-deoxycytidine | |
| hydroxypropyl-gamma-cyclodextrin | [no description available] | medium | 1 | 0 | | |
| lycopene | [no description available] | medium | 12 | 0 | acyclic carotene | antioxidant;
plant metabolite |
| bromodeoxyuridine | [no description available] | medium | 40 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent |
| involucrin | [no description available] | medium | 1 | 0 | | |
| vinclozolin | [no description available] | medium | 1 | 0 | dicarboximide;
dichlorobenzene;
olefinic compound;
oxazolidinone | |
| oxazoles | [no description available] | medium | 3 | 0 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| pheophorbide a | [no description available] | medium | 2 | 0 | | |
| chlorophyll a | [no description available] | medium | 4 | 0 | chlorophyll;
methyl ester | cofactor |
| phenylalanine | [no description available] | medium | 8 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid | algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| tretinoin | [no description available] | medium | 76 | 1 | retinoic acid;
vitamin A | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule |
| atrial natriuretic factor | [no description available] | medium | 1 | 0 | polypeptide | |
| trelstar | [no description available] | medium | 2 | 0 | | |
| aromasil | [no description available] | medium | 6 | 0 | 17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic |
| atenolol | [no description available] | medium | 1 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
| carvedilol | [no description available] | medium | 1 | 0 | carbazoles;
secondary alcohol;
secondary amino compound | alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent |
| isoproterenol | [no description available] | medium | 4 | 0 | catechols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent |
| erucin | [no description available] | medium | 2 | 0 | isothiocyanate | |
| allopurinol | [no description available] | medium | 4 | 0 | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger |
| niacinamide | [no description available] | medium | 3 | 0 | pyridine alkaloid;
pyridinecarboxamide;
vitamin B3 | anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor |
| butyric acid | [no description available] | medium | 4 | 0 | fatty acid 4:0;
straight-chain saturated fatty acid | human urinary metabolite;
Mycoplasma genitalium metabolite |
| cytochromes c1 | [no description available] | medium | 1 | 0 | | |
| riboflavin | [no description available] | medium | 2 | 0 | flavin;
vitamin B2 | anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite |
| deoxyguanosine | [no description available] | medium | 17 | 0 | purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| glyceollin | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound | |
| methotrexate | [no description available] | medium | 11 | 0 | dicarboxylic acid;
monocarboxylic acid amide;
pteridines | abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent |
| guanine | [no description available] | medium | 6 | 0 | 2-aminopurines;
oxopurine;
purine nucleobase | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 8-hydroxyguanine | [no description available] | medium | 1 | 0 | oxopurine | |
| sirolimus | [no description available] | medium | 6 | 0 | antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol | antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor |
| bortezomib | [no description available] | medium | 1 | 0 | amino acid amide;
L-phenylalanine derivative;
pyrazines | antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor |
| methylinositol | [no description available] | medium | 2 | 0 | | |
| inositol | [no description available] | medium | 3 | 0 | cyclitol;
hexol | |
| capsaicin | [no description available] | medium | 6 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| ceruletide | [no description available] | medium | 2 | 0 | oligopeptide | diagnostic agent;
gastrointestinal drug |
| protoporphyrin ix | [no description available] | medium | 6 | 0 | | |
| menthol | [no description available] | medium | 2 | 0 | p-menthane monoterpenoid;
secondary alcohol | volatile oil component |
| shikonin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | |
| centchroman | [no description available] | medium | 4 | 0 | | |
| stigmasterol | [no description available] | medium | 2 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols;
stigmastane sterol | plant metabolite |
| ps1145 | [no description available] | medium | 1 | 0 | beta-carbolines | |
| caseins | [no description available] | medium | 21 | 0 | | |
| casein hydrolysate | [no description available] | medium | 1 | 0 | | |
| masoprocol | [no description available] | medium | 4 | 0 | nordihydroguaiaretic acid | antineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite |
| phytoestrogens | [no description available] | medium | 10 | 0 | | |
| colfosceril palmitate | [no description available] | medium | 1 | 0 | 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 32:0 | mouse metabolite;
surfactant |
| 1,2-dipalmitoylphosphatidylcholine | [no description available] | medium | 1 | 0 | | |
| phytochlorin | [no description available] | medium | 1 | 0 | | |
| luteolin | [no description available] | medium | 2 | 0 | 3'-hydroxyflavonoid;
tetrahydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist |
| shogaol | [no description available] | medium | 1 | 0 | enone;
monomethoxybenzene;
phenols | |
| methanol | [no description available] | medium | 6 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
| sodium fluoride | [no description available] | medium | 1 | 0 | fluoride salt | mutagen |
| aspirin | [no description available] | medium | 7 | 0 | benzoic acids;
phenyl acetates;
salicylates | anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent |
| atorvastatin | [no description available] | medium | 2 | 0 | aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic) | environmental contaminant;
xenobiotic |
| gemcitabine | [no description available] | medium | 1 | 0 | organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic |
| cortistatin 14 | [no description available] | medium | 1 | 0 | | |
| cytochrome c-t | [no description available] | medium | 4 | 0 | | |
| ulipristal | [no description available] | medium | 1 | 0 | 20-oxo steroid | |
| mifepristone | [no description available] | medium | 11 | 0 | 3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound | abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive |
| telapristone acetate | [no description available] | medium | 2 | 0 | steroid ester | |
| selenium | [no description available] | medium | 86 | 0 | chalcogen;
nonmetal atom | micronutrient |
| silybin | [no description available] | medium | 1 | 0 | | |
| zoledronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid);
imidazoles | bone density conservation agent |
| n-acetylneuraminic acid | [no description available] | medium | 6 | 0 | N-acetylneuraminic acids | antioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite |
| azastene | [no description available] | medium | 1 | 0 | | |
| 12-o-undecadienoylphorbol-13-acetate | [no description available] | medium | 1 | 0 | | |
| diosmin | [no description available] | medium | 2 | 0 | dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside | anti-inflammatory agent;
antioxidant |
| hydralazine | [no description available] | medium | 1 | 0 | azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines | antihypertensive agent;
vasodilator agent |
| valproic acid | [no description available] | medium | 1 | 0 | branched-chain fatty acid;
branched-chain saturated fatty acid | anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent |
| ethinyl estradiol | [no description available] | medium | 10 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| phytic acid | [no description available] | medium | 11 | 0 | inositol phosphate | |
| 4-butyrolactone | [no description available] | medium | 7 | 0 | butan-4-olide | metabolite;
neurotoxin |
| lignans | [no description available] | medium | 11 | 0 | | |
| lariciresinol | [no description available] | medium | 1 | 0 | aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol | antifungal agent;
plant metabolite |
| secoisolariciresinol | [no description available] | medium | 3 | 0 | secoisolariciresinol | antidepressant;
phytoestrogen;
plant metabolite |
| 2,3-bis(3'-hydroxybenzyl)butyrolactone | [no description available] | medium | 5 | 0 | lignan | |
| 2,3-bis(3'-hydroxybenzyl)butane-1,4-diol | [no description available] | medium | 2 | 0 | lignan | |
| glutaminase | [no description available] | medium | 1 | 0 | | |
| glutamine | [no description available] | medium | 11 | 0 | amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| eicosapentaenoic acid | [no description available] | medium | 4 | 0 | icosapentaenoic acid;
omega-3 fatty acid | anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| promega | [no description available] | medium | 2 | 0 | | |
| cyanidin-3-o-beta-glucopyranoside | [no description available] | medium | 1 | 0 | | |
| 4-vinyl-1-cyclohexene dioxide | [no description available] | medium | 8 | 0 | epoxide | carcinogenic agent |
| bay 12-9566 | [no description available] | medium | 1 | 0 | biphenyls;
organochlorine compound | |
| pyridoxine | [no description available] | medium | 1 | 0 | hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| pyridoxal phosphate | [no description available] | medium | 1 | 0 | methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate | coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| vitamin b 6 | [no description available] | medium | 1 | 0 | | |
| transferrin | [no description available] | medium | 2 | 0 | | |
| fenretinide | [no description available] | medium | 23 | 0 | monocarboxylic acid amide;
retinoid | antineoplastic agent;
antioxidant |
| pregna-4,17-diene-3,16-dione | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
| leukotriene b4 | [no description available] | medium | 7 | 0 | dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid | human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent |
| withaferin a | [no description available] | medium | 4 | 0 | 27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide | antineoplastic agent;
apoptosis inducer |
| ergosterol | [no description available] | medium | 5 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols | fungal metabolite;
Saccharomyces cerevisiae metabolite |
| withanolides | [no description available] | medium | 4 | 0 | | |
| daidzein | [no description available] | medium | 11 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite |
| nicotine | [no description available] | medium | 4 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic |
| ferulic acid | [no description available] | medium | 9 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
| cytidine diphosphate choline | [no description available] | medium | 1 | 0 | nucleotide-(amino alcohol)s;
phosphocholines | human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite |
| 1-isopropyl-3-methylbenzimidazole-2-selenone | [no description available] | medium | 5 | 0 | | |
| lactoferrin | [no description available] | medium | 4 | 0 | | |
| d-alpha tocopherol | [no description available] | medium | 59 | 0 | alpha-tocopherol | algal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite |
| cyclohexene oxide | [no description available] | medium | 2 | 0 | | |
| 3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene | [no description available] | medium | 1 | 0 | | |
| fluocinolone acetonide | [no description available] | medium | 12 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| choline | [no description available] | medium | 6 | 0 | cholines | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| beta-naphthoflavone | [no description available] | medium | 15 | 0 | extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
| 2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one | [no description available] | medium | 1 | 0 | cyclic ketone;
quinuclidines | |
| 7,12-dihydroxymethylbenz(a)anthracene | [no description available] | medium | 1 | 0 | | |
| diethylstilbestrol | [no description available] | medium | 35 | 1 | olefinic compound;
polyphenol | antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen |
| potassium perchlorate | [no description available] | medium | 1 | 0 | | |
| diisopropanolnitrosamine | [no description available] | medium | 8 | 0 | diol;
nitrosamine;
secondary alcohol | carcinogenic agent |
| tetrabromobisphenol a | [no description available] | medium | 1 | 0 | brominated flame retardant;
bromobisphenol | |
| procyanidin | [no description available] | medium | 7 | 0 | proanthocyanidin | |
| perillyl alcohol | [no description available] | medium | 3 | 0 | limonene monoterpenoid | plant metabolite;
volatile oil component |
| 7,12-dimethylbenz(a)anthracene-3,4-dihydrodiol | [no description available] | medium | 8 | 0 | phenanthrol | |
| 4-chlorophenylacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
monochlorobenzenes | xenobiotic metabolite |
| phenylacetic acid | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid;
phenylacetic acids | allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin |
| zapotin | [no description available] | medium | 1 | 0 | ether;
flavonoids | |
| sulindac | [no description available] | medium | 2 | 0 | monocarboxylic acid;
organofluorine compound;
sulfoxide | analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent |
| piperine | [no description available] | medium | 3 | 0 | benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide | food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite |
| 4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
| rosiglitazone | [no description available] | medium | 3 | 0 | aminopyridine;
thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug |
| equol | [no description available] | medium | 3 | 0 | hydroxyisoflavans | |
| 4-boronophenylalanine | [no description available] | medium | 3 | 0 | | |
| 3'-o-(4-benzoyl)benzoyladenosine 5'-triphosphate | [no description available] | medium | 1 | 0 | purine ribonucleoside triphosphate | |
| nimbolide | [no description available] | medium | 2 | 0 | | |
| azadirachtin | [no description available] | medium | 2 | 0 | acetate ester;
azadirachtin;
cyclic hemiketal;
enoate ester;
epoxide;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol;
tertiary alcohol | hepatoprotective agent |
| hymecromone | [no description available] | medium | 1 | 0 | hydroxycoumarin | antineoplastic agent;
hyaluronic acid synthesis inhibitor |
| beta-escin | [no description available] | medium | 4 | 0 | | |
| avicin d | [no description available] | medium | 1 | 0 | | |
| nitrobenzanthrone | [no description available] | medium | 1 | 0 | phenanthrenes | |
| ethoxyresorufin | [no description available] | medium | 2 | 0 | phenoxazine | |
| alpha-naphthoflavone | [no description available] | medium | 27 | 0 | extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound | aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor |
| farnesol | [no description available] | medium | 1 | 0 | farnesol | plant metabolite |
| onapristone | [no description available] | medium | 6 | 0 | | |
| dimethylarsinous acid | [no description available] | medium | 1 | 0 | methylarsinous acid | |
| cacodylic acid | [no description available] | medium | 2 | 0 | organoarsenic compound | xenobiotic metabolite |
| warfarin | [no description available] | medium | 24 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| bisphenol a | [no description available] | medium | 3 | 0 | bisphenol | endocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen |
| 2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 3 | 0 | chromones;
morpholines;
organochlorine compound | autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector |
| ly 303511 | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
| sk&f 99085 | [no description available] | medium | 1 | 0 | | |
| chenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| indomethacin | [no description available] | medium | 31 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
| adrenomedullin | [no description available] | medium | 2 | 0 | | |
| nimesulide | [no description available] | medium | 2 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| gw0742 | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
| thiazoles | [no description available] | medium | 6 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| sanguinarine | [no description available] | medium | 1 | 0 | alkaloid antibiotic;
benzophenanthridine alkaloid;
botanical anti-fungal agent | |
| butylhydroxybutylnitrosamine | [no description available] | medium | 5 | 0 | nitrosamine;
primary alcohol | carcinogenic agent |
| diuron | [no description available] | medium | 4 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene | environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic |
| betadex | [no description available] | medium | 1 | 0 | cyclodextrin | |
| carbamide peroxide | [no description available] | medium | 2 | 0 | mixture | disinfectant;
oxidising agent;
reagent |
| beta-ionone | [no description available] | medium | 2 | 0 | ionone | antioxidant;
fragrance |
| glycine | [no description available] | medium | 2 | 0 | alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical |
| phosphoric acid, trisodium salt | [no description available] | medium | 1 | 0 | sodium phosphate | |
| diallyl trisulfide | [no description available] | medium | 1 | 0 | organic trisulfide | anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent |
| ro 5-4864 | [no description available] | medium | 4 | 0 | | |
| pk 11195 | [no description available] | medium | 1 | 0 | aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes | antineoplastic agent |
| diclofenac | [no description available] | medium | 3 | 0 | amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| benz(a)anthracene | [no description available] | medium | 107 | 0 | ortho-fused polycyclic arene;
tetraphenes | |
| oxyphenbutazone | [no description available] | medium | 2 | 0 | phenols;
pyrazolidines | antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite |
| etodolac | [no description available] | medium | 1 | 0 | monocarboxylic acid;
organic heterotricyclic compound | antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| thiohydantoins | [no description available] | medium | 1 | 0 | | |
| 2-piperidone | [no description available] | medium | 2 | 0 | delta-lactam;
piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
| estrone sulfate | [no description available] | medium | 1 | 0 | 17-oxo steroid;
steroid sulfate | human metabolite;
mouse metabolite |
| estrone | [no description available] | medium | 27 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
| dimethyl sulfoxide | [no description available] | medium | 31 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
| calcitriol | [no description available] | medium | 9 | 0 | D3 vitamins;
hydroxycalciol;
triol | antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical |
| scopoletin | [no description available] | medium | 1 | 0 | hydroxycoumarin | plant growth regulator;
plant metabolite |
| 4-octylphenol | [no description available] | medium | 2 | 0 | phenols | metabolite;
surfactant;
xenoestrogen |
| testosterone propionate | [no description available] | medium | 2 | 0 | steroid ester | |
| afimoxifene | [no description available] | medium | 9 | 0 | phenols;
tertiary amino compound | antineoplastic agent;
estrogen receptor antagonist;
metabolite |
| nutlin-3a | [no description available] | medium | 1 | 0 | stilbenoid | |
| aurapten | [no description available] | medium | 2 | 0 | coumarins;
monoterpenoid | antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary |
| thiazolidines | [no description available] | medium | 4 | 0 | thiazolidine | |
| mitomycin | [no description available] | medium | 23 | 0 | mitomycin | alkylating agent;
antineoplastic agent |
| titanium | [no description available] | medium | 2 | 0 | titanium group element atom | |
| titanium dioxide | [no description available] | medium | 2 | 0 | titanium oxides | food colouring |
| isoeugenol | [no description available] | medium | 1 | 0 | isoeugenol | plant metabolite |
| cinnamyl alcohol | [no description available] | medium | 1 | 0 | cinnamyl alcohol | plant metabolite |
| hydroxyl radical | [no description available] | medium | 2 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
| urethane | [no description available] | medium | 36 | 0 | carbamate ester | fungal metabolite;
mutagen |
| santalol | [no description available] | medium | 3 | 0 | | |
| (e)-3-(4-t-butylphenyl)-n-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide | [no description available] | medium | 1 | 0 | | |
| tacrolimus | [no description available] | medium | 4 | 0 | macrolide lactam | bacterial metabolite;
immunosuppressive agent |
| 8-epi-prostaglandin f2alpha | [no description available] | medium | 2 | 0 | F2-isoprostane | biomarker;
bronchoconstrictor agent;
vasoconstrictor agent |
| dinoprost | [no description available] | medium | 3 | 0 | monocarboxylic acid;
prostaglandins Falpha | human metabolite;
mouse metabolite |
| neuropeptide y | [no description available] | medium | 1 | 0 | | |
| sodium glutamate | [no description available] | medium | 1 | 0 | monosodium glutamate | flavouring agent |
| kiss1 protein, human | [no description available] | medium | 2 | 0 | | |
| allyl sulfide | [no description available] | medium | 14 | 0 | organic sulfide | |
| epicatechin gallate | [no description available] | medium | 2 | 0 | catechin;
gallate ester;
polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite |
| hematoporphyrin | [no description available] | medium | 7 | 0 | | |
| anacardic acid | [no description available] | medium | 2 | 0 | hydroxy monocarboxylic acid;
hydroxybenzoic acid | anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite |
| 4-vinylcyclohexene | [no description available] | medium | 3 | 0 | cyclic olefin | |
| trichloroethylene | [no description available] | medium | 2 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
| indole-3-carbinol | [no description available] | medium | 9 | 0 | indolyl alcohol | antineoplastic agent;
plant metabolite |
| 2-methylpentane | [no description available] | medium | 2 | 0 | alkane | |
| n-hexane | [no description available] | medium | 1 | 0 | alkane;
volatile organic compound | neurotoxin;
non-polar solvent |
| saccharolactone | [no description available] | medium | 1 | 0 | aldarolactone;
delta-lactone | |
| iodine | [no description available] | medium | 7 | 0 | diatomic iodine | nutrient |
| potassium iodide | [no description available] | medium | 2 | 0 | potassium salt | expectorant;
radical scavenger |
| 2,4,5,2',4',5'-hexachlorobiphenyl | [no description available] | medium | 1 | 0 | hexachlorobiphenyl | |
| 3,4,5,3',4'-pentachlorobiphenyl | [no description available] | medium | 7 | 0 | pentachlorobiphenyl;
trichlorobenzene | |
| 4-nonylphenol | [no description available] | medium | 2 | 0 | phenols | environmental contaminant |
| medroxyprogesterone | [no description available] | medium | 23 | 0 | 17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone | contraceptive drug;
progestin;
synthetic oral contraceptive |
| geraniol | [no description available] | medium | 3 | 1 | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component |
| dapi | [no description available] | medium | 1 | 0 | indoles | fluorochrome |
| diosgenin | [no description available] | medium | 2 | 0 | 3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal | antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite |
| tocopherols | [no description available] | medium | 2 | 0 | | |
| 8-oxo-2'-deoxyadenosine | [no description available] | medium | 1 | 0 | purine 2'-deoxyribonucleoside | |
| genistin | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside | |
| scutellarin | [no description available] | medium | 1 | 0 | glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antineoplastic agent;
proteasome inhibitor |
| salvianolic acid B | [no description available] | medium | 2 | 0 | 1-benzofurans;
catechols;
dicarboxylic acid;
enoate ester;
polyphenol | anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
autophagy inhibitor;
cardioprotective agent;
hepatoprotective agent;
hypoglycemic agent;
neuroprotective agent;
osteogenesis regulator;
plant metabolite |
| phorbol | [no description available] | medium | 1 | 0 | cyclic ketone;
enone;
tertiary alcohol;
tertiary alpha-hydroxy ketone;
tetracyclic diterpenoid | |
| phorbols | [no description available] | medium | 53 | 0 | diterpene;
terpenoid fundamental parent | |
| bifendate | [no description available] | medium | 1 | 0 | | |
| 5-hydroxy-6,8,11,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | HETE | human metabolite;
mouse metabolite |
| 1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 1 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent |
| gliclazide | [no description available] | medium | 1 | 0 | | |
| spermine | [no description available] | medium | 4 | 0 | polyazaalkane;
tetramine | antioxidant;
fundamental metabolite;
immunosuppressive agent |
| spermidine | [no description available] | medium | 7 | 0 | polyazaalkane;
triamine | autophagy inducer;
fundamental metabolite;
geroprotector |
| 7-bromomethylbenzanthracene | [no description available] | medium | 8 | 0 | | |
| limonene | [no description available] | medium | 13 | 0 | cycloalkene;
p-menthadiene | human metabolite |
| boswellic acid | [no description available] | medium | 1 | 0 | triterpenoid | |
| glycosides | [no description available] | medium | 6 | 0 | | |
| cucurbitane | [no description available] | medium | 1 | 0 | triterpene | |
| platinum | [no description available] | medium | 2 | 0 | elemental platinum;
nickel group element atom;
platinum group metal atom | |
| methane | [no description available] | medium | 1 | 0 | alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound | bacterial metabolite;
fossil fuel;
greenhouse gas |
| mexiletine | [no description available] | medium | 1 | 0 | aromatic ether;
primary amino compound | anti-arrhythmia drug |
| rs100642 | [no description available] | medium | 1 | 0 | | |
| selenocysteine | [no description available] | medium | 4 | 0 | | |
| methoxychlor | [no description available] | medium | 3 | 0 | organochlorine insecticide | |
| gw9662 | [no description available] | medium | 2 | 0 | benzamides | |
| fulvestrant | [no description available] | medium | 4 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide | antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist |
| sizofiran | [no description available] | medium | 2 | 0 | | |
| pd 153035 | [no description available] | medium | 1 | 0 | aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist |
| xanthorrhizol | [no description available] | medium | 1 | 0 | sesquiterpenoid | |
| inotilone | [no description available] | medium | 1 | 0 | | |
| phloroglucinol | [no description available] | medium | 4 | 0 | benzenetriol;
phenolic donor | algal metabolite |
| 1'-acetoxychavicol acetate | [no description available] | medium | 1 | 0 | acetate ester;
phenylpropanoid | antineoplastic agent;
NF-kappaB inhibitor;
plant metabolite |
| ganciclovir | [no description available] | medium | 3 | 0 | 2-aminopurines;
oxopurine | antiinfective agent;
antiviral drug |
| agar | [no description available] | medium | 6 | 0 | | |
| nitrites | [no description available] | medium | 3 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | human metabolite |
| pyrroles | [no description available] | medium | 2 | 0 | pyrrole;
secondary amine | |
| mevalonic acid | [no description available] | medium | 2 | 0 | 3,5-dihydroxy-3-methylpentanoic acid | |
| lupeol | [no description available] | medium | 4 | 0 | pentacyclic triterpenoid;
secondary alcohol | anti-inflammatory drug;
plant metabolite |
| pterostilbene | [no description available] | medium | 1 | 0 | diether;
methoxybenzenes;
stilbenol | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger |
| plx4032 | [no description available] | medium | 1 | 0 | aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide | antineoplastic agent;
B-Raf inhibitor |
| plx 4720 | [no description available] | medium | 1 | 0 | aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide | antineoplastic agent;
B-Raf inhibitor |
| dabrafenib | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide | anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor |
| azoxymethane | [no description available] | medium | 6 | 0 | | |
| mtt formazan | [no description available] | medium | 1 | 0 | | |
| formazans | [no description available] | medium | 1 | 0 | | |
| s-nitrosoglutathione | [no description available] | medium | 1 | 0 | glutathione derivative;
nitrosothio compound | bronchodilator agent;
nitric oxide donor;
platelet aggregation inhibitor;
signalling molecule |
| etoposide | [no description available] | medium | 2 | 0 | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor |
| tyrosine | [no description available] | medium | 4 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical |
| gw 7845 | [no description available] | medium | 1 | 0 | | |
| baicalein | [no description available] | medium | 3 | 0 | trihydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger |
| garcinol | [no description available] | medium | 1 | 0 | | |
| pravastatin | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic) | anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic |
| enalapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
dipeptide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug |
| ochratoxin a | [no description available] | medium | 1 | 0 | isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative | Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent |
| beta carotene | [no description available] | medium | 40 | 0 | carotenoid beta-end derivative;
cyclic carotene | antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A |
| retinol palmitate | [no description available] | medium | 13 | 0 | all-trans-retinyl ester;
retinyl palmitate | antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite |
| threonine | [no description available] | medium | 2 | 0 | amino acid zwitterion;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
threonine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| coumarin | [no description available] | medium | 4 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| bexarotene | [no description available] | medium | 1 | 0 | benzoic acids;
naphthalenes;
retinoid | antineoplastic agent |
| deoxyglucose | [no description available] | medium | 6 | 0 | | |
| malonic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid | human metabolite |
| elastin | [no description available] | medium | 1 | 0 | oligopeptide | |
| nad | [no description available] | medium | 3 | 0 | organophosphate oxoanion | cofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite |
| ondansetron | [no description available] | medium | 1 | 0 | carbazoles | |
| tenuazonic acid | [no description available] | medium | 1 | 0 | | |
| cysteine | [no description available] | medium | 14 | 0 | cysteinium | fundamental metabolite |
| s-allylcysteine | [no description available] | medium | 7 | 0 | L-alpha-amino acid zwitterion;
S-hydrocarbyl-L-cysteine | antineoplastic agent;
metabolite |
| estradiol 3-benzoate | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid;
benzoate ester | estrogen receptor agonist;
xenoestrogen |
| 2-acetylaminofluorene | [no description available] | medium | 40 | 0 | 2-acetamidofluorenes | antimitotic;
carcinogenic agent;
epitope;
mutagen |
| 1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 3 | 0 | | |
| sesamol | [no description available] | medium | 1 | 0 | benzodioxoles | |
| pyrethrins | [no description available] | medium | 2 | 0 | | |
| cypermethrin | [no description available] | medium | 1 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound | agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| 12-hydroxy-5,8,10,14-eicosatetraenoic acid | [no description available] | medium | 2 | 0 | | |
| ellipticine | [no description available] | medium | 2 | 0 | indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene | antineoplastic agent;
plant metabolite |
| 1-ethynylpyrene | [no description available] | medium | 5 | 0 | | |
| alanine | [no description available] | medium | 2 | 0 | alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite |
| chloramphenicol | [no description available] | medium | 5 | 0 | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor |
| methoxsalen | [no description available] | medium | 4 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
| chlorpromazine | [no description available] | medium | 5 | 0 | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug |
| 1,2-dihydroxy-1,2-dihydronaphthalene | [no description available] | medium | 1 | 0 | dihydronaphthalenes;
naphthalenediols | bacterial xenobiotic metabolite;
mouse metabolite |
| benzo(a)pyrene 7,8-dihydrodiol | [no description available] | medium | 6 | 0 | pyrenes | |
| 1,2-naphthoquinone | [no description available] | medium | 1 | 0 | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist;
carcinogenic agent |
| benzo(a)pyrene-7,8-dione | [no description available] | medium | 1 | 0 | orthoquinones;
pyrenes | genotoxin;
xenobiotic metabolite |
| 2-naphthol | [no description available] | medium | 1 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
| 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | medium | 12 | 0 | imidazopyridine;
primary amino compound | carcinogenic agent;
mutagen |
| isopimpinellin | [no description available] | medium | 4 | 0 | psoralens | |
| aldosterone | [no description available] | medium | 6 | 0 | 11beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde | human metabolite;
mouse metabolite |
| tibolone | [no description available] | medium | 4 | 0 | 17beta-hydroxy steroid;
terminal acetylenic compound | bone density conservation agent;
hormone agonist |
| nitrates | [no description available] | medium | 2 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | |
| ajoene | [no description available] | medium | 1 | 0 | sulfoxide | |
| benzoyl peroxide | [no description available] | medium | 35 | 0 | carbonyl compound | |
| phenobarbital | [no description available] | medium | 47 | 0 | barbiturates | anticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative |
| 4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone | [no description available] | medium | 1 | 0 | nitrosamine;
pyridines | |
| capsiate | [no description available] | medium | 1 | 0 | carboxylic ester;
monomethoxybenzene;
phenols | angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite |
| lanosterol | [no description available] | medium | 3 | 0 | 14alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid | bacterial metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| 1-hydroxyvitamin d5 | [no description available] | medium | 2 | 0 | | |
| metallothionein | [no description available] | medium | 5 | 0 | | |
| pentachlorophenol | [no description available] | medium | 3 | 0 | aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes | human xenobiotic metabolite |
| 4-hydroxy-2-nonenal | [no description available] | medium | 1 | 0 | 4-hydroxynon-2-enal;
4-hydroxynonenal | |
| serine | [no description available] | medium | 1 | 0 | L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| icrf 193 | [no description available] | medium | 1 | 0 | | |
| gamma-linolenic acid | [no description available] | medium | 6 | 0 | linolenic acid;
omega-6 fatty acid | human metabolite;
mouse metabolite;
plant metabolite |
| phosphatidylcholines | [no description available] | medium | 8 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
| phenoxodiol | [no description available] | medium | 1 | 0 | | |
| propidium | [no description available] | medium | 1 | 0 | phenanthridines;
quaternary ammonium ion | fluorochrome;
intercalator |
| thymidine | [no description available] | medium | 24 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite |
| transforming growth factor alpha | [no description available] | medium | 17 | 0 | | |
| protocatechuic acid | [no description available] | medium | 3 | 0 | catechols;
dihydroxybenzoic acid | antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
| biochanin a | [no description available] | medium | 2 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
| 1,4-phenylenebis(methylene)selenocyanate | [no description available] | medium | 6 | 0 | | |
| dimethylhydrazines | [no description available] | medium | 18 | 0 | | |
| o-(chloroacetylcarbamoyl)fumagillol | [no description available] | medium | 2 | 0 | carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide | angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist |
| lithocholic acid | [no description available] | medium | 1 | 0 | bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid | geroprotector;
human metabolite;
mouse metabolite |
| guanosine | [no description available] | medium | 5 | 0 | guanosines;
purines D-ribonucleoside | fundamental metabolite |
| cytosine | [no description available] | medium | 5 | 0 | aminopyrimidine;
pyrimidine nucleobase;
pyrimidone | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| peroxynitrous acid | [no description available] | medium | 4 | 0 | nitrogen oxoacid | |
| mogroside v | [no description available] | medium | 1 | 0 | | |
| 7-hydroxymethyl-12-methylbenz(a)anthracene | [no description available] | medium | 26 | 0 | phenanthrenes | |
| phosphorus radioisotopes | [no description available] | medium | 18 | 0 | | |
| secoisolariciresinol diglucoside | [no description available] | medium | 1 | 0 | | |
| thiouracil | [no description available] | medium | 2 | 0 | nucleobase analogue;
thiocarbonyl compound | antithyroid drug;
metabolite |
| thyroxine | [no description available] | medium | 10 | 0 | 2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine | antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone |
| taurocholic acid | [no description available] | medium | 2 | 0 | amino sulfonic acid;
bile acid taurine conjugate | human metabolite |
| dienestrol | [no description available] | medium | 1 | 0 | | |
| triiodothyronine | [no description available] | medium | 2 | 0 | 2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine | human metabolite;
mouse metabolite;
thyroid hormone |
| metyrapone | [no description available] | medium | 9 | 0 | aromatic ketone | antimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
| benzene | [no description available] | medium | 5 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
| cortisone | [no description available] | medium | 6 | 0 | 11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| ibotenic acid | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | neurotoxin |
| 3-hydroxy-3-methylglutaryl-coenzyme a | [no description available] | medium | 1 | 0 | 3-hydroxy-3-methylglutaryl-CoA;
3-hydroxy fatty acyl-CoA | human metabolite;
mouse metabolite |
| tocotrienols | [no description available] | medium | 2 | 0 | diterpenoid | |
| phenoxazine | [no description available] | medium | 1 | 0 | phenoxazine | ferroptosis inhibitor;
radical scavenger |
| cumene hydroperoxide | [no description available] | medium | 3 | 0 | peroxol | environmental contaminant;
Mycoplasma genitalium metabolite;
oxidising agent |
| bacteriochlorophylls | [no description available] | medium | 1 | 0 | | |
| euscaphic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid;
triol | plant metabolite |
| leucine | [no description available] | medium | 8 | 0 | amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| ubenimex | [no description available] | medium | 2 | 0 | | |
| 2,5-dihydroxybenzoic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid | EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite |
| lysophosphatidic acid | [no description available] | medium | 1 | 0 | 1-acyl-sn-glycerol 3-phosphate | |
| erbstatin | [no description available] | medium | 1 | 0 | | |
| phenylbutazone | [no description available] | medium | 2 | 0 | pyrazolidines | antirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| ag 127 | [no description available] | medium | 1 | 0 | nitrophenol | |
| atrazine | [no description available] | medium | 3 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
| zd 6474 | [no description available] | medium | 1 | 0 | aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine | antineoplastic agent;
tyrosine kinase inhibitor |
| pyrimidine dimers | [no description available] | medium | 1 | 0 | | |
| 2-diethylaminoethanol | [no description available] | medium | 1 | 0 | ethanolamines;
primary alcohol;
tertiary amino compound | |
| 12-o-tetradeca-2,4,6,8-tetranoylphorbol-13-acetate | [no description available] | medium | 3 | 0 | | |
| diphenylmethyl selenocyanate | [no description available] | medium | 2 | 0 | | |
| sodium selenite | [no description available] | medium | 8 | 0 | inorganic sodium salt;
selenite salt | nutraceutical |
| 7-(hydroxymethyl)-12-methylbenz(a)anthracene sulfate ester | [no description available] | medium | 8 | 0 | | |
| ovalbumin | [no description available] | medium | 3 | 0 | | |
| lupane | [no description available] | medium | 2 | 0 | | |
| sr 16234 | [no description available] | medium | 2 | 0 | | |
| hydroxyurea | [no description available] | medium | 10 | 0 | one-carbon compound;
ureas | antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent |
| zileuton | [no description available] | medium | 1 | 0 | 1-benzothiophenes;
ureas | anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug |
| niacin | [no description available] | medium | 1 | 0 | pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3 | antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
| coenzyme q10 | [no description available] | medium | 2 | 0 | ubiquinones | antioxidant;
ferroptosis inhibitor;
human metabolite |
| ubiquinone | [no description available] | medium | 2 | 0 | | |
| corticosterone | [no description available] | medium | 21 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| ginsenoside rg3 | [no description available] | medium | 2 | 0 | ginsenoside;
glycoside;
tetracyclic triterpenoid | angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite |
| ginsenosides | [no description available] | medium | 3 | 0 | | |
| nortrachelogenin | [no description available] | medium | 1 | 0 | lignan | |
| hydroxymatairesinol | [no description available] | medium | 2 | 0 | | |
| troglitazone | [no description available] | medium | 3 | 0 | chromanes;
thiazolidinone | anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent |
| ddt | [no description available] | medium | 8 | 0 | benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide | bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant |
| mastoparan | [no description available] | medium | 1 | 0 | mastoparans;
peptidyl amide | antimicrobial agent |
| calcimycin | [no description available] | medium | 4 | 0 | benzoxazole | |
| 6-sulfatoxymelatonin | [no description available] | medium | 3 | 0 | acetamides | |
| sulforaphane | [no description available] | medium | 3 | 0 | isothiocyanate;
sulfoxide | antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite |
| mezerein | [no description available] | medium | 32 | 0 | diterpenoid | |
| selenocyanic acid | [no description available] | medium | 1 | 0 | organic radical | |
| cyanates | [no description available] | medium | 6 | 0 | | |
| 15-deoxy-delta(12,14)-prostaglandin j2 | [no description available] | medium | 1 | 0 | prostaglandins J | electrophilic reagent;
insulin-sensitizing drug;
metabolite |
| prostaglandin d2 | [no description available] | medium | 1 | 0 | prostaglandins D | human metabolite;
mouse metabolite |
| 1,2-dimethylhydrazine | [no description available] | medium | 16 | 0 | hydrazines | alkylating agent;
carcinogenic agent |
| eleostearic acid | [no description available] | medium | 1 | 0 | octadecatrienoic acid | |
| pimagedine | [no description available] | medium | 2 | 0 | guanidines;
one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| ng-nitroarginine methyl ester | [no description available] | medium | 1 | 0 | alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| ospemifene | [no description available] | medium | 3 | 0 | aromatic ether;
organochlorine compound;
primary alcohol | anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator |
| 1,2-diamino-4-nitrobenzene | [no description available] | medium | 2 | 0 | C-nitro compound;
primary amino compound | |
| sodium azide | [no description available] | medium | 4 | 0 | inorganic sodium salt | antibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen |
| phenanthrenes | [no description available] | medium | 18 | 0 | | |
| casein kinase ii | [no description available] | medium | 3 | 0 | | |
| proline | [no description available] | medium | 3 | 0 | amino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid | algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | |
| tris(2,2'-bipyridine)ruthenium(II) | [no description available] | medium | 1 | 0 | ruthenium coordination entity | fluorochrome |
| artemisinin | [no description available] | medium | 1 | 0 | organic peroxide;
sesquiterpene lactone | antimalarial;
plant metabolite |
| amarogentin | [no description available] | medium | 1 | 0 | monosaccharide derivative;
secoiridoid glycoside | EC 5.99.1.2 (DNA topoisomerase) inhibitor;
metabolite |
| iridoids | [no description available] | medium | 1 | 0 | | |
| salicylates | [no description available] | medium | 6 | 0 | monohydroxybenzoate | plant metabolite |
| diphenyleneiodonium | [no description available] | medium | 1 | 0 | organic cation | |
| 2-tert-butylhydroquinone | [no description available] | medium | 2 | 0 | hydroquinones | food antioxidant |
| hematoxylin | [no description available] | medium | 3 | 0 | organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol | histological dye;
plant metabolite |
| eosine yellowish-(ys) | [no description available] | medium | 4 | 0 | organic sodium salt;
organobromine compound | fluorochrome;
histological dye |
| acid phosphatase | [no description available] | medium | 6 | 0 | | |
| glu-p-2 | [no description available] | medium | 1 | 0 | imidazopyridine | |
| enng | [no description available] | medium | 5 | 0 | | |
| 2-anthramine | [no description available] | medium | 6 | 0 | anthracenamine | |
| magnolol | [no description available] | medium | 1 | 0 | biphenyls | |
| quinoxalines | [no description available] | medium | 2 | 0 | mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene | |
| cellulose | [no description available] | medium | 1 | 0 | glycoside | |
| acacetin | [no description available] | medium | 1 | 0 | dihydroxyflavone;
monomethoxyflavone | anticonvulsant;
plant metabolite |
| inotodiol | [no description available] | medium | 1 | 0 | | |
| myristic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite |
| asparagine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| oleanane | [no description available] | medium | 1 | 0 | terpenoid fundamental parent;
triterpene | |
| asiatic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
pentacyclic triterpenoid;
triol | angiogenesis modulating agent;
metabolite |
| soblidotin | [no description available] | medium | 1 | 0 | tetrapeptide | antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent |
| dibutyl phthalate | [no description available] | medium | 2 | 0 | diester;
phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent |
| flutamide | [no description available] | medium | 7 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide | androgen antagonist;
antineoplastic agent |
| deuterium oxide | [no description available] | medium | 1 | 0 | deuterated compound;
water | NMR solvent |
| sarcophine | [no description available] | medium | 1 | 0 | | |
| formestane | [no description available] | medium | 8 | 1 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| androstenedione | [no description available] | medium | 23 | 1 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
| tetracycline | [no description available] | medium | 1 | 0 | | |
| cadmium | [no description available] | medium | 4 | 0 | cadmium molecular entity;
zinc group element atom | |
| atx 70 | [no description available] | medium | 1 | 0 | | |
| rehmannic acid | [no description available] | medium | 2 | 0 | | |
| caffeine | [no description available] | medium | 15 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
| glutathione disulfide | [no description available] | medium | 3 | 0 | glutathione derivative;
organic disulfide | Escherichia coli metabolite;
mouse metabolite |
| arctiin | [no description available] | medium | 1 | 0 | glycoside;
lignan | |
| anthralin | [no description available] | medium | 7 | 0 | anthracenes | antipsoriatic |
| delphinidin | [no description available] | medium | 3 | 0 | anthocyanidin chloride | |
| aflatoxin b1 | [no description available] | medium | 31 | 0 | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human metabolite |
| gw2974 | [no description available] | medium | 2 | 0 | pyridopyrimidine | |
| retinol acetate | [no description available] | medium | 27 | 0 | acetate ester | |
| isotretinoin | [no description available] | medium | 10 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
teratogenic agent |
| lysine | [no description available] | medium | 1 | 0 | aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid | algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| manganese | [no description available] | medium | 5 | 0 | elemental manganese;
manganese group element atom | Escherichia coli metabolite;
micronutrient |
| sm 346 | [no description available] | medium | 1 | 0 | | |
| camphor, (+-)-isomer | [no description available] | medium | 1 | 0 | bornane monoterpenoid;
cyclic monoterpene ketone | plant metabolite |
| isoborneol | [no description available] | medium | 1 | 0 | borneol | |
| chloroform | [no description available] | medium | 3 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
| achillin | [no description available] | medium | 1 | 0 | | |
| propane | [no description available] | medium | 1 | 0 | alkane;
gas molecular entity | food propellant |
| epidermal growth factor | [no description available] | medium | 18 | 0 | | |
| isosalipurposide | [no description available] | medium | 1 | 0 | beta-D-glucoside;
chalcones;
monosaccharide derivative;
resorcinols | antioxidant;
plant metabolite |
| naringenin chalcone | [no description available] | medium | 1 | 0 | chalcones;
polyphenol | anti-allergic agent;
anti-inflammatory agent;
metabolite |
| isopimaric acid | [no description available] | medium | 1 | 0 | carbotricyclic compound;
diterpenoid;
monocarboxylic acid | |
| rosin | [no description available] | medium | 1 | 0 | | |
| sesamin | [no description available] | medium | 2 | 0 | benzodioxoles;
furofuran;
lignan | antineoplastic agent;
neuroprotective agent;
plant metabolite |
| cyclosporine | [no description available] | medium | 5 | 0 | | |
| nitric acid | [no description available] | medium | 1 | 0 | nitrogen oxoacid | protic solvent;
reagent |
| 2,3,4,6-tetrachlorophenol | [no description available] | medium | 2 | 0 | tetrachlorophenol | xenobiotic metabolite |
| benzo(e)pyrene | [no description available] | medium | 6 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mutagen |
| 2,4,6-trichlorophenol | [no description available] | medium | 1 | 0 | trichlorophenol | carcinogenic agent |
| angiotensin ii | [no description available] | medium | 4 | 0 | amino acid zwitterion;
angiotensin II | human metabolite |
| acth (4-10) | [no description available] | medium | 1 | 0 | | |
| 3'-methyl-4-methylaminoazobenzene | [no description available] | medium | 1 | 0 | | |
| p-dimethylaminoazobenzene | [no description available] | medium | 8 | 0 | azobenzenes | |
| n-nitrosomorpholine | [no description available] | medium | 1 | 0 | nitrosamine | carcinogenic agent;
mutagen |
| ethamoxytriphetol | [no description available] | medium | 1 | 0 | stilbenoid | |
| levodopa | [no description available] | medium | 5 | 0 | amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug |
| chlordan | [no description available] | medium | 2 | 0 | cyclodiene organochlorine insecticide | GABA-gated chloride channel antagonist;
persistent organic pollutant |
| lead | [no description available] | medium | 2 | 0 | carbon group element atom;
elemental lead;
metal atom | neurotoxin |
| dactinomycin | [no description available] | medium | 9 | 0 | actinomycin | mutagen |
| mercury | [no description available] | medium | 1 | 0 | elemental mercury;
zinc group element atom | neurotoxin |
| puromycin | [no description available] | medium | 1 | 0 | puromycins | antiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor |
| demecolcine | [no description available] | medium | 3 | 0 | alkaloid;
secondary amino compound | antineoplastic agent;
microtubule-destabilising agent |
| methyldimethylaminoazobenzene | [no description available] | medium | 7 | 0 | | |
| concanavalin a | [no description available] | medium | 8 | 0 | | |
| pristane | [no description available] | medium | 1 | 0 | long-chain alkane;
norterpene | biomarker;
immunological adjuvant |
| amsonic acid | [no description available] | medium | 1 | 0 | | |
| 4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid | [no description available] | medium | 1 | 0 | stilbenoid | |
| norethynodrel | [no description available] | medium | 4 | 0 | oxo steroid | |
| mestranol | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound | prodrug;
xenoestrogen |
| hexestrol | [no description available] | medium | 9 | 0 | stilbenoid | |
| chlormadinone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| theophylline | [no description available] | medium | 2 | 0 | dimethylxanthine | adenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent |
| 1-methyl-3-isobutylxanthine | [no description available] | medium | 2 | 0 | 3-isobutyl-1-methylxanthine | |
| dicumarol | [no description available] | medium | 2 | 0 | hydroxycoumarin | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist |
| erythrosine | [no description available] | medium | 1 | 0 | | |
| aceglatone | [no description available] | medium | 2 | 0 | organic molecular entity | |
| sudan iii | [no description available] | medium | 8 | 0 | azobenzenes;
bis(azo) compound;
naphthols | carcinogenic agent;
fluorochrome;
histological dye |
| acetoxyacetylaminofluorene | [no description available] | medium | 7 | 0 | 2-acetamidofluorenes | carcinogenic agent;
mutagen |
| methyl methanesulfonate | [no description available] | medium | 13 | 0 | methanesulfonate ester | alkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen |
| acetic acid | [no description available] | medium | 3 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
| lathosterol | [no description available] | medium | 1 | 0 | 3beta-sterol;
C27-steroid;
cholestanoid;
Delta(7)-sterol | human metabolite;
mouse metabolite |
| dehydroepiandrosterone | [no description available] | medium | 25 | 1 | 17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid | androgen;
human metabolite;
mouse metabolite |
| acitretin | [no description available] | medium | 1 | 0 | acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid | keratolytic drug |
| etretinate | [no description available] | medium | 5 | 0 | enoate ester;
ethyl ester;
retinoid | keratolytic drug |
| nandrolone | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid | human metabolite |
| nandrolone phenpropionate | [no description available] | medium | 1 | 0 | 3-phenylpropionate ester | anabolic agent;
androgen |
| tiopronin | [no description available] | medium | 2 | 0 | N-acyl-amino acid | |
| chloroquine | [no description available] | medium | 2 | 0 | aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug |
| 1-fluorohexestrol | [no description available] | medium | 1 | 0 | | |
| cyclic gmp | [no description available] | medium | 7 | 0 | 3',5'-cyclic purine nucleotide;
guanyl ribonucleotide | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| allylisopropylacetamide | [no description available] | medium | 3 | 0 | | |
| propylisopropylacetamide | [no description available] | medium | 1 | 0 | | |
| luminol | [no description available] | medium | 1 | 0 | | |
| 7,8-dihydrobenzo(a)pyrene | [no description available] | medium | 1 | 0 | | |
| 1,3-diphenylisobenzofuran | [no description available] | medium | 1 | 0 | | |
| stilbene oxide | [no description available] | medium | 2 | 0 | epoxide | |
| ay 25,205 | [no description available] | medium | 1 | 0 | | |
| benzyl chloride | [no description available] | medium | 1 | 0 | benzyl chlorides | |
| 4-chloromethylbiphenyl | [no description available] | medium | 1 | 0 | | |
| 4-hydroxymethylbiphenyl | [no description available] | medium | 1 | 0 | | |
| 2,4-dinitrophenol | [no description available] | medium | 1 | 0 | dinitrophenol | allergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor |
| hydrazine | [no description available] | medium | 1 | 0 | azane;
hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
| nsc 297170 | [no description available] | medium | 3 | 0 | | |
| bucladesine | [no description available] | medium | 10 | 0 | 3',5'-cyclic purine nucleotide | |
| heptachlor | [no description available] | medium | 1 | 0 | cyclodiene organochlorine insecticide | agrochemical;
antibacterial agent;
antifungal agent;
GABA-gated chloride channel antagonist;
persistent organic pollutant |
| cytochalasin b | [no description available] | medium | 4 | 0 | cytochalasin;
lactam;
lactone;
organic heterotricyclic compound | actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor |
| 7,8-dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide | [no description available] | medium | 6 | 0 | epoxide | intercalator |
| cycloheximide | [no description available] | medium | 7 | 0 | antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol | anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor |
| potassium permanganate | [no description available] | medium | 1 | 0 | | |
| 1,2,5,6-dibenzanthracene | [no description available] | medium | 4 | 0 | ortho-fused polycyclic arene | mutagen |
| sulfuric acid | [no description available] | medium | 1 | 0 | sulfur oxoacid | catalyst |
| 1,1,2,2-tetramethyl-1,2-bis(4'-hydroxyphenyl)ethane | [no description available] | medium | 1 | 0 | | |
| adenosine monophosphate | [no description available] | medium | 2 | 0 | adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical |
| bromocriptine | [no description available] | medium | 20 | 0 | indole alkaloid | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist |
| sodium molybdate(vi) | [no description available] | medium | 2 | 0 | inorganic sodium salt | poison |
| 4-fluoroestradiol | [no description available] | medium | 1 | 0 | | |
| anthanthrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| ethylphenylpropiolate | [no description available] | medium | 3 | 0 | | |
| fluphenazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
organofluorine compound;
phenothiazines | anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| fluphenazine depot | [no description available] | medium | 1 | 0 | decanoate ester;
N-alkylpiperazine;
organofluorine compound;
phenothiazines | dopaminergic antagonist;
phenothiazine antipsychotic drug;
prodrug |
| fucose | [no description available] | medium | 3 | 0 | fucopyranose;
L-fucose | Escherichia coli metabolite;
mouse metabolite |
| 17-methylestradiol | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | |
| 4-biphenylamine | [no description available] | medium | 1 | 0 | aminobiphenyl | carcinogenic agent |
| thioguanine anhydrous | [no description available] | medium | 5 | 0 | 2-aminopurines | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| adenine | [no description available] | medium | 8 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| ro 13-6298 | [no description available] | medium | 3 | 0 | | |
| daunorubicin | [no description available] | medium | 4 | 0 | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite |
| nogalamycin | [no description available] | medium | 1 | 0 | | |
| haloperidol | [no description available] | medium | 8 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| 7-methylbenzanthracene | [no description available] | medium | 6 | 0 | | |
| promegestone | [no description available] | medium | 11 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid | antineoplastic agent;
progesterone receptor agonist;
progestin |
| triethylenemelamine | [no description available] | medium | 3 | 0 | 1,3,5-triazines | alkylating agent;
insect sterilant |
| mechlorethamine | [no description available] | medium | 2 | 0 | nitrogen mustard;
organochlorine compound | alkylating agent |
| ergoline | [no description available] | medium | 12 | 0 | diamine;
ergoline alkaloid;
indole alkaloid fundamental parent;
indole alkaloid;
organic heterotetracyclic compound | |
| copper bis(3,5-diisopropylsalicylate) | [no description available] | medium | 4 | 0 | | |
| ibuprofen | [no description available] | medium | 5 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
| caffeic acid | [no description available] | medium | 4 | 0 | caffeic acid | geroprotector;
mouse metabolite |
| n-desmethyltamoxifen | [no description available] | medium | 1 | 0 | stilbenoid | |
| w 7 | [no description available] | medium | 3 | 0 | | |
| trifluoperazine | [no description available] | medium | 2 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines | antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug |
| teleocidin b-4 | [no description available] | medium | 19 | 0 | | |
| ifosfamide | [no description available] | medium | 2 | 0 | ifosfamides | alkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| stearic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite |
| ly 117018 | [no description available] | medium | 1 | 0 | 1-benzothiophenes;
aromatic ketone;
N-alkylpyrrolidine;
phenols | bone density conservation agent;
estrogen receptor antagonist;
estrogen receptor modulator |
| thiophenes | [no description available] | medium | 2 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
| butantrone | [no description available] | medium | 1 | 0 | | |
| 2'-deoxycytidine 5'-triphosphate | [no description available] | medium | 1 | 0 | 2'-deoxycytidine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-triphosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| perphenazine | [no description available] | medium | 10 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| pyruvic acid | [no description available] | medium | 2 | 0 | 2-oxo monocarboxylic acid | cofactor;
fundamental metabolite |
| estriol | [no description available] | medium | 11 | 0 | 16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid | estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite |
| methoxamine | [no description available] | medium | 2 | 0 | amphetamines | alpha-adrenergic agonist;
antihypotensive agent |
| guanosine triphosphate | [no description available] | medium | 4 | 0 | guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor |
| guanylyl imidodiphosphate | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
| dinitrochlorobenzene | [no description available] | medium | 6 | 0 | C-nitro compound;
monochlorobenzenes | allergen;
epitope;
sensitiser |
| propyl gallate | [no description available] | medium | 2 | 0 | trihydroxybenzoic acid | |
| gamma-sitosterol | [no description available] | medium | 2 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols | marine metabolite;
plant metabolite |
| lentinan | [no description available] | medium | 2 | 1 | | |
| histamine | [no description available] | medium | 3 | 0 | aralkylamino compound;
imidazoles | human metabolite;
mouse metabolite;
neurotransmitter |
| lyngbyatoxin a | [no description available] | medium | 3 | 0 | indoles | |
| 2',3-dimethyl-4-aminobiphenyl | [no description available] | medium | 4 | 0 | | |
| diphenylamine | [no description available] | medium | 1 | 0 | aromatic amine;
bridged diphenyl fungicide;
secondary amino compound | antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger |
| nifurpirinol | [no description available] | medium | 1 | 0 | C-nitro compound;
furans | |
| pirarubicin | [no description available] | medium | 1 | 0 | anthracycline | |
| mitoxantrone | [no description available] | medium | 3 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
| 12-o-retinoylphorbol-13-acetate | [no description available] | medium | 8 | 0 | | |
| potassium chromate(vi) | [no description available] | medium | 1 | 0 | potassium salt | carcinogenic agent;
oxidising agent |
| chromates | [no description available] | medium | 2 | 0 | chromium oxoanion;
divalent inorganic anion | oxidising agent |
| potassium bromate | [no description available] | medium | 1 | 0 | bromate salt;
potassium salt | flour treatment agent |
| sodium hypochlorite | [no description available] | medium | 1 | 0 | inorganic sodium salt | bleaching agent;
disinfectant |
| chlorite | [no description available] | medium | 1 | 0 | chlorine oxoanion;
monovalent inorganic anion | |
| bromates | [no description available] | medium | 1 | 0 | bromine oxoanion;
monovalent inorganic anion | |
| diazoacetic ester | [no description available] | medium | 2 | 0 | | |
| o-aminoazotoluene | [no description available] | medium | 2 | 0 | | |
| cycasin | [no description available] | medium | 1 | 0 | | |
| aluminum | [no description available] | medium | 2 | 0 | boron group element atom;
elemental aluminium;
metal atom | |
| aluminum oxide | [no description available] | medium | 1 | 0 | | |
| sulpiride | [no description available] | medium | 2 | 0 | benzamides;
N-alkylpyrrolidine;
sulfonamide | antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist |
| 1-nitropyrene | [no description available] | medium | 2 | 0 | nitroarene | carcinogenic agent |
| naphthalene | [no description available] | medium | 2 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
| phenanthrene | [no description available] | medium | 5 | 0 | ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes | environmental contaminant;
mouse metabolite |
| 9,10-dimethylanthracene | [no description available] | medium | 3 | 0 | | |
| carmustine | [no description available] | medium | 4 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent |
| strontium radioisotopes | [no description available] | medium | 1 | 0 | | |
| goserelin | [no description available] | medium | 3 | 0 | organic molecular entity | |
| coumestrol | [no description available] | medium | 1 | 0 | coumestans;
delta-lactone;
polyphenol | anti-inflammatory agent;
antioxidant;
plant metabolite |
| n-nitrosobutylurea | [no description available] | medium | 3 | 0 | | |
| proadifen | [no description available] | medium | 3 | 0 | diarylmethane | |
| prednisolone | [no description available] | medium | 4 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| ergocornine | [no description available] | medium | 2 | 0 | ergot alkaloid | |
| dihydrotestosterone | [no description available] | medium | 16 | 1 | 17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
| ouabain | [no description available] | medium | 2 | 0 | 11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone | anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite |
| safrole | [no description available] | medium | 4 | 0 | benzodioxoles | flavouring agent;
insecticide;
metabolite;
plant metabolite |
| tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 3 | 0 | alpha-chloroketone;
sulfonamide | alkylating agent;
serine proteinase inhibitor |
| 2-hydroxyestradiol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid;
2-hydroxy steroid | carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug |
| 2-hydroxyestrone | [no description available] | medium | 1 | 0 | 2-hydroxy steroid;
catechols | human metabolite |
| carbon disulfide | [no description available] | medium | 1 | 0 | one-carbon compound;
organosulfur compound | |
| propylthiouracil | [no description available] | medium | 2 | 0 | pyrimidinethione | antidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist |
| 9-hydroxyellipticine | [no description available] | medium | 1 | 0 | organic heterotetracyclic compound;
organonitrogen heterocyclic compound | antineoplastic agent |
| oxytocin | [no description available] | medium | 3 | 0 | heterodetic cyclic peptide;
peptide hormone | oxytocic;
vasodilator agent |
| pituitrin | [no description available] | medium | 3 | 0 | | |
| phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| buformin | [no description available] | medium | 1 | 0 | biguanides | antineoplastic agent;
antiviral agent;
geroprotector;
hypoglycemic agent;
radiosensitizing agent |
| retinylidene dimedone | [no description available] | medium | 2 | 0 | | |
| sepharose | [no description available] | medium | 2 | 0 | | |
| bromine | [no description available] | medium | 1 | 0 | diatomic bromine | |
| chlorodiphenyl (54% chlorine) | [no description available] | medium | 6 | 0 | | |
| nitromifene | [no description available] | medium | 1 | 0 | | |
| u 23469 | [no description available] | medium | 1 | 0 | | |
| clofibrate | [no description available] | medium | 4 | 0 | aromatic ether;
ethyl ester;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist |
| tryptophan | [no description available] | medium | 3 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan | antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| lithium | [no description available] | medium | 1 | 0 | alkali metal atom | |
| levamisole | [no description available] | medium | 7 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator |
| 7,8,12-trimethylbenz(a)anthracene | [no description available] | medium | 5 | 0 | | |
| cyproterone | [no description available] | medium | 2 | 0 | 17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
chlorinated steroid;
tertiary alpha-hydroxy ketone | androgen antagonist |
| benzyl isothiocyanate | [no description available] | medium | 1 | 0 | benzenes;
isothiocyanate | antibacterial drug |
| aniline mustard | [no description available] | medium | 1 | 0 | | |
| melphalan | [no description available] | medium | 3 | 0 | L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| iomethin | [no description available] | medium | 1 | 0 | | |
| 3-iodo-alpha-methyltyrosine | [no description available] | medium | 1 | 0 | | |
| losartan potassium | [no description available] | medium | 2 | 0 | | |
| vancomycin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite |
| framycetin | [no description available] | medium | 1 | 0 | aminoglycoside | allergen;
antibacterial drug;
Escherichia coli metabolite |
| acridine orange | [no description available] | medium | 1 | 0 | aminoacridines;
aromatic amine;
tertiary amino compound | fluorochrome;
histological dye |
| dihydroteleocidin b | [no description available] | medium | 1 | 0 | | |
| o,p'-ddt | [no description available] | medium | 1 | 0 | diarylmethane | |
| perylene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene;
perylenes | |
| paraquat | [no description available] | medium | 1 | 0 | organic cation | geroprotector;
herbicide |
| p-aminohippuric acid | [no description available] | medium | 3 | 0 | N-acylglycine | Daphnia magna metabolite |
| hydroxyproline | [no description available] | medium | 1 | 0 | 4-hydroxyproline;
L-alpha-amino acid zwitterion | human metabolite;
mouse metabolite;
plant metabolite |
| 1,4-dimethylnaphthalene | [no description available] | medium | 1 | 0 | dimethylnaphthalene | |
| thiotepa | [no description available] | medium | 2 | 0 | aziridines | |
| methionine | [no description available] | medium | 5 | 0 | aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid | antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| pergolide | [no description available] | medium | 1 | 0 | diamine;
methyl sulfide;
organic heterotetracyclic compound | antiparkinson drug;
dopamine agonist |
| (all-e) phytoene | [no description available] | medium | 2 | 0 | phytoene | plant metabolite |
| 7-hydroxymethylbenz(a)anthracene | [no description available] | medium | 3 | 0 | | |
| thymosin | [no description available] | medium | 4 | 0 | | |
| semustine | [no description available] | medium | 1 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent |
| androsta-1,4,6-triene-3,17-dione | [no description available] | medium | 2 | 0 | 17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
androstanoid | EC 1.14.14.14 (aromatase) inhibitor;
human xenobiotic metabolite |
| 4-acetoxy-4-androstene-3,17-dione | [no description available] | medium | 1 | 0 | | |
| moxestrol | [no description available] | medium | 2 | 0 | 3-hydroxy steroid | |
| methylprednisolone | [no description available] | medium | 2 | 0 | 6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic |
| 12-methylbenzanthracene | [no description available] | medium | 5 | 0 | | |
| gamma-aminobutyric acid | [no description available] | medium | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
| cystathionine | [no description available] | medium | 1 | 0 | cysteine derivative | |
| tegafur | [no description available] | medium | 6 | 0 | organohalogen compound;
pyrimidines | |
| 3-ft | [no description available] | medium | 2 | 0 | | |
| eflornithine | [no description available] | medium | 11 | 0 | alpha-amino acid;
fluoroamino acid | trypanocidal drug |
| ornithine | [no description available] | medium | 6 | 0 | non-proteinogenic L-alpha-amino acid;
ornithine | algal metabolite;
hepatoprotective agent;
mouse metabolite |
| dromostanolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-5alpha-steroid;
anabolic androgenic steroid | anabolic agent;
antineoplastic agent |
| dromostanolone propionate | [no description available] | medium | 1 | 0 | 3-oxo-5alpha-steroid;
steroid ester | antineoplastic agent |
| reticulin | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
isoquinolinol | plant metabolite |
| alkenes | [no description available] | medium | 1 | 0 | | |
| 1,1,2-triphenylbut-1-ene | [no description available] | medium | 1 | 0 | | |
| trans-sodium crocetinate | [no description available] | medium | 2 | 0 | | |
| selenious acid | [no description available] | medium | 10 | 0 | selenium oxoacid | |
| n,n'-dimethylnitrosourea | [no description available] | medium | 1 | 0 | | |
| uridine | [no description available] | medium | 4 | 0 | uridines | drug metabolite;
fundamental metabolite;
human metabolite |
| uridine diphosphate glucuronic acid | [no description available] | medium | 1 | 0 | UDP-D-glucuronic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| diphenylcyclopropenone | [no description available] | medium | 1 | 0 | cyclopropenone | drug allergen;
hapten;
photosensitizing agent |
| 1-aminoanthraquinone | [no description available] | medium | 1 | 0 | | |
| 2-aminoanthraquinone | [no description available] | medium | 1 | 0 | anthraquinone | |
| diethyl sulfate | [no description available] | medium | 1 | 0 | alkyl sulfate | alkylating agent;
apoptosis inducer;
carcinogenic agent;
mutagen |
| floxuridine | [no description available] | medium | 2 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent |
| cytarabine | [no description available] | medium | 3 | 0 | beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside | antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent |
| 8,11,14-eicosatrienoic acid | [no description available] | medium | 1 | 0 | fatty acid 20:3;
long-chain fatty acid | fungal metabolite;
human metabolite;
nutraceutical |
| tat 59 | [no description available] | medium | 1 | 0 | aryl phosphate | |
| heme | [no description available] | medium | 1 | 0 | | |
| inosine | [no description available] | medium | 2 | 0 | inosines;
purines D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| colforsin | [no description available] | medium | 2 | 0 | acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol | adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist |
| picryl chloride | [no description available] | medium | 6 | 0 | C-nitro compound;
monochlorobenzenes | allergen;
epitope;
explosive;
hapten |
| todralazine | [no description available] | medium | 1 | 0 | phthalazines | |
| aminacrine | [no description available] | medium | 2 | 0 | aminoacridines;
primary amino compound | acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen |
| azides | [no description available] | medium | 3 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
| mirex | [no description available] | medium | 5 | 0 | chlorocarbon;
organochlorine insecticide | persistent organic pollutant |
| 7h-dibenzo(c,g)carbazole | [no description available] | medium | 2 | 0 | carbazoles | |
| 6-hydroxymelatonin | [no description available] | medium | 2 | 0 | acetamides;
tryptamines | metabolite;
mouse metabolite |
| phosphoadenosine phosphosulfate | [no description available] | medium | 1 | 0 | acyl sulfate;
adenosine bisphosphate;
purine ribonucleoside bisphosphate | Escherichia coli metabolite;
mouse metabolite |
| 5-hydroxymethyl-2'-deoxyuridine | [no description available] | medium | 1 | 0 | | |
| 8-oxo-7,8-dihydrodeoxyguanine | [no description available] | medium | 1 | 0 | | |
| rotenone | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin |
| cholesteryl sulfate | [no description available] | medium | 1 | 0 | steroid sulfate | human metabolite |
| bisdemethoxycurcumin | [no description available] | medium | 1 | 0 | beta-diketone;
diarylheptanoid;
enone;
polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite |
| tetrahydrocurcumin | [no description available] | medium | 1 | 0 | beta-diketone;
diarylheptanoid;
polyphenol | metabolite |
| demethoxycurcumin | [no description available] | medium | 1 | 0 | beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antineoplastic agent;
metabolite |
| 8-bromo cyclic adenosine monophosphate | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
organobromine compound | antidepressant;
protein kinase agonist |
| sapintoxin d | [no description available] | medium | 1 | 0 | phorbol ester;
tertiary alpha-hydroxy ketone | fluorescent probe;
metabolite |
| toremifene | [no description available] | medium | 13 | 0 | aromatic ether;
organochlorine compound;
tertiary amine | antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| n'-nitrosonornicotine | [no description available] | medium | 1 | 0 | pyridines;
pyrrolidines | |
| trypan blue | [no description available] | medium | 1 | 0 | | |
| hydroxyacetylaminofluorene | [no description available] | medium | 5 | 0 | 2-acetamidofluorenes | |
| chrysene | [no description available] | medium | 4 | 0 | ortho-fused polycyclic arene | plant metabolite |
| nitidine | [no description available] | medium | 1 | 0 | phenanthridines | |
| fagaronine | [no description available] | medium | 1 | 0 | benzophenanthridine alkaloid | mutagen |
| hydroxyindoleacetic acid | [no description available] | medium | 2 | 0 | indole-3-acetic acids | drug metabolite;
human metabolite;
mouse metabolite |
| 4-nitrosodimethylaniline | [no description available] | medium | 1 | 0 | dimethylaniline;
nitroso compound;
tertiary amino compound | |
| 1-aminoanthracene | [no description available] | medium | 1 | 0 | anthracenamine | |
| 1-aminopyrene | [no description available] | medium | 1 | 0 | | |
| 4-acetylaminofluorene | [no description available] | medium | 1 | 0 | acetamides;
fluorenes | mitogen |
| 2,7-fluorenediamine | [no description available] | medium | 1 | 0 | | |
| pyrene | [no description available] | medium | 2 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe;
persistent organic pollutant |
| 2-aminofluorene | [no description available] | medium | 4 | 0 | | |
| fluorene | [no description available] | medium | 2 | 0 | ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon | |
| chloroaluminum tetrasulfophthalocyanine | [no description available] | medium | 1 | 0 | | |
| lovastatin | [no description available] | medium | 1 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug |
| danazol | [no description available] | medium | 4 | 0 | 17beta-hydroxy steroid;
terminal acetylenic compound | anti-estrogen;
estrogen antagonist;
geroprotector |
| em 139 | [no description available] | medium | 1 | 0 | | |
| p-aminoazobenzene | [no description available] | medium | 5 | 0 | | |
| octadecyl palmitate | [no description available] | medium | 2 | 0 | hexadecanoate ester;
wax ester | coral metabolite;
cosmetic |
| wortmannin | [no description available] | medium | 1 | 0 | acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound | anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent |
| ethanolamine | [no description available] | medium | 1 | 0 | ethanolamines;
primary alcohol;
primary amine | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| alpha bitter acid | [no description available] | medium | 1 | 0 | aromatic ketone;
cyclic ketone;
diketone;
tertiary alpha-hydroxy ketone;
triol | antibacterial drug;
antioxidant;
cyclooxygenase 2 inhibitor;
metabolite |
| brassinin | [no description available] | medium | 2 | 0 | dithiocarbamic ester;
indole phytoalexin | |
| 3-amino-1-methyl-5h-pyrido(4,3-b)indole | [no description available] | medium | 3 | 0 | pyridoindole | |
| deoxynivalenol | [no description available] | medium | 1 | 0 | cyclic ketone;
enone;
primary alcohol;
secondary alpha-hydroxy ketone;
trichothecene;
triol | mycotoxin |
| 3-hydroxyflavone | [no description available] | medium | 1 | 0 | flavonols;
monohydroxyflavone | |
| org 31710 | [no description available] | medium | 1 | 0 | | |
| org 31806 | [no description available] | medium | 1 | 0 | | |
| sphingosine | [no description available] | medium | 2 | 0 | sphing-4-enine | human metabolite;
mouse metabolite |
| staurosporine | [no description available] | medium | 2 | 0 | ammonium ion derivative | |
| dehydroepiandrosterone sulfate | [no description available] | medium | 3 | 0 | 17-oxo steroid;
steroid sulfate | EC 2.7.1.33 (pantothenate kinase) inhibitor;
human metabolite;
mouse metabolite |
| 7-oxodihydrokarounidiol | [no description available] | medium | 1 | 0 | | |
| karounidiol | [no description available] | medium | 1 | 0 | organic hydroxy compound | |
| glycidyl nitrate | [no description available] | medium | 1 | 0 | | |
| lipoteichoic acid | [no description available] | medium | 1 | 0 | | |
| ninhydrin | [no description available] | medium | 1 | 0 | aromatic ketone;
beta-diketone;
indanones;
ketone hydrate | colour indicator;
human metabolite |
| piroxicam | [no description available] | medium | 2 | 0 | benzothiazine;
monocarboxylic acid amide;
pyridines | analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| fadrozole | [no description available] | medium | 7 | 0 | imidazopyridine | |
| perflubron | [no description available] | medium | 1 | 0 | haloalkane;
organobromine compound;
perfluorinated compound | blood substitute;
radioopaque medium |
| carbogen | [no description available] | medium | 1 | 0 | | |
| mebeverine | [no description available] | medium | 3 | 0 | | |
| droloxifene | [no description available] | medium | 3 | 0 | stilbenoid | |
| proglumide | [no description available] | medium | 1 | 0 | benzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate | anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite |
| lorglumide | [no description available] | medium | 1 | 0 | benzamides;
dicarboxylic acid monoamide;
dichlorobenzene;
glutamic acid derivative | |
| rc 3095 | [no description available] | medium | 2 | 0 | | |
| ici 164384 | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
tertiary carboxamide | anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist |
| azathioprine | [no description available] | medium | 1 | 0 | aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine | antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug |
| mallotojaponin | [no description available] | medium | 1 | 0 | | |
| tmk 688 | [no description available] | medium | 2 | 0 | | |
| tmk 777 | [no description available] | medium | 2 | 0 | | |
| benzanthracene-5,6-oxide | [no description available] | medium | 1 | 0 | | |
| 7-ethylbenz(a)anthracene | [no description available] | medium | 1 | 0 | | |
| potassium chloride | [no description available] | medium | 3 | 0 | inorganic chloride;
inorganic potassium salt;
potassium salt | fertilizer |
| 7-hydroxycoumarin | [no description available] | medium | 2 | 0 | hydroxycoumarin | fluorescent probe;
food component;
plant metabolite |
| miltefosine | [no description available] | medium | 3 | 0 | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor |
| phosphorylcholine | [no description available] | medium | 4 | 0 | phosphocholines | allergen;
epitope;
hapten;
human metabolite;
mouse metabolite |
| phosphorylethanolamine | [no description available] | medium | 1 | 0 | phosphoethanolamine;
primary amino compound | algal metabolite;
human metabolite;
mouse metabolite |
| dinitrofluorobenzene | [no description available] | medium | 7 | 0 | C-nitro compound;
organofluorine compound | agrochemical;
allergen;
chromatographic reagent;
EC 2.7.3.2 (creatine kinase) inhibitor;
protein-sequencing agent;
spectrophotometric reagent |
| digitoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
| glycerol | [no description available] | medium | 5 | 0 | alditol;
triol | algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent |
| pyrrolidonecarboxylic acid | [no description available] | medium | 1 | 0 | 5-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid | algal metabolite |
| epidermal pentapeptide | [no description available] | medium | 1 | 0 | | |
| 1,2-didecanoylglycerol | [no description available] | medium | 1 | 0 | 1,2-diglyceride;
decanoate ester | |
| decanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component |
| thymine | [no description available] | medium | 1 | 0 | pyrimidine nucleobase;
pyrimidone | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| fullerene c70 | [no description available] | medium | 1 | 0 | fullerene | |
| fullerene c60 | [no description available] | medium | 1 | 0 | fullerene | geroprotector |
| carnosol | [no description available] | medium | 2 | 0 | diterpenoid | |
| germanium | [no description available] | medium | 1 | 0 | carbon group element atom;
metalloid atom;
nonmetal atom | |
| thymopentin | [no description available] | medium | 1 | 0 | oligopeptide | |
| pentoxifylline | [no description available] | medium | 3 | 0 | oxopurine | |
| inositol 1,4,5-trisphosphate | [no description available] | medium | 1 | 0 | myo-inositol trisphosphate | mouse metabolite |
| benzo(j)fluoranthene | [no description available] | medium | 1 | 0 | naphthalenes | |
| canventol | [no description available] | medium | 1 | 0 | | |
| sarcophytol a | [no description available] | medium | 3 | 0 | cembrane diterpenoid | |
| okadaic acid | [no description available] | medium | 12 | 0 | ketal | |
| cyclohexanol | [no description available] | medium | 1 | 0 | cyclohexanols;
secondary alcohol | solvent |
| mevalonolactone | [no description available] | medium | 1 | 0 | 4-hydroxy-4-methyloxan-2-one | fungal metabolite;
plant metabolite |
| sulfur | [no description available] | medium | 2 | 0 | chalcogen;
nonmetal atom | macronutrient |
| 2-nitrofluorene | [no description available] | medium | 2 | 0 | nitroarene | carcinogenic agent;
mutagen |
| clomipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | anticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor |
| mofarotene | [no description available] | medium | 2 | 0 | | |
| pargyline | [no description available] | medium | 3 | 0 | aromatic amine | |
| plomestane | [no description available] | medium | 3 | 0 | | |
| 16-hydroxyestrone | [no description available] | medium | 2 | 0 | | |
| scopadulcic acid b | [no description available] | medium | 1 | 0 | | |
| berbamine | [no description available] | medium | 1 | 0 | phenylpropanoid | |
| tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
| cepharanthine | [no description available] | medium | 2 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
| triazoles | [no description available] | medium | 8 | 0 | 1,2,3-triazole | |
| cgp 47645 | [no description available] | medium | 2 | 0 | | |
| 12-deoxyphorbolphenylacetate | [no description available] | medium | 1 | 0 | | |
| prostratin | [no description available] | medium | 1 | 0 | | |
| estradiol-3-sulfate | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
steroid sulfate | mammalian metabolite |
| estriol 3-sulfate | [no description available] | medium | 2 | 0 | | |
| dibenzo(a,l)pyrene | [no description available] | medium | 5 | 0 | ortho- and peri-fused polycyclic arene | human metabolite;
mutagen |
| vinblastine | [no description available] | medium | 3 | 0 | p-menthane monoterpenoid | |
| buserelin | [no description available] | medium | 7 | 0 | oligopeptide | |
| thymalfasin | [no description available] | medium | 1 | 0 | polypeptide | |
| verapamil | [no description available] | medium | 4 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| 8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
| dibenz(a,j)anthracene-3,4-diol-1,2-epoxide | [no description available] | medium | 1 | 0 | | |
| aphidicolin | [no description available] | medium | 3 | 0 | tetracyclic diterpenoid | antimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite |
| lucifer yellow | [no description available] | medium | 2 | 0 | organic lithium salt | fluorochrome |
| saccharin | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole;
N-sulfonylcarboxamide | environmental contaminant;
sweetening agent;
xenobiotic |
| vorozole | [no description available] | medium | 4 | 0 | benzotriazoles | |
| neoxanthin | [no description available] | medium | 1 | 0 | | |
| benzanthracene-3,4-dihydrodiol | [no description available] | medium | 1 | 0 | | |
| 2,3,4,2',3',4'-hexachlorobiphenyl | [no description available] | medium | 1 | 0 | | |
| caffeic acid phenethyl ester | [no description available] | medium | 1 | 0 | alkyl caffeate ester | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent |
| phenylethyl alcohol | [no description available] | medium | 1 | 0 | benzenes;
primary alcohol | Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| camptothecin | [no description available] | medium | 2 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
| digalactosyldiacylglycerol | [no description available] | medium | 1 | 0 | | |
| glycolipids | [no description available] | medium | 2 | 0 | | |
| vanillin | [no description available] | medium | 1 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
| arecaidine | [no description available] | medium | 2 | 0 | citraconoyl group | |
| arecoline | [no description available] | medium | 2 | 0 | enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine | metabolite;
muscarinic agonist |
| taraxasterol | [no description available] | medium | 1 | 0 | pentacyclic triterpenoid;
secondary alcohol | anti-inflammatory agent;
metabolite |
| menogaril | [no description available] | medium | 1 | 0 | | |
| fluorescein-5-isothiocyanate | [no description available] | medium | 3 | 0 | fluorescein isothiocyanate | |
| naltrexone | [no description available] | medium | 3 | 0 | cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound | antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic |
| uracil | [no description available] | medium | 2 | 0 | pyrimidine nucleobase;
pyrimidone | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite |
| hexamethylene bisacetamide | [no description available] | medium | 1 | 0 | acetamides | |
| acetylglucosamine | [no description available] | medium | 1 | 1 | N-acetyl-D-glucosamine | epitope |
| tetraborate | [no description available] | medium | 1 | 1 | | |
| hyaluronoglucosaminidase | [no description available] | medium | 3 | 1 | | |
| picibanil | [no description available] | medium | 4 | 0 | penicillinate anion | |
| dieldrin | [no description available] | medium | 3 | 0 | epoxide;
organochlorine compound;
organochlorine insecticide | carcinogenic agent;
xenobiotic |
| cholic acid | [no description available] | medium | 1 | 0 | 12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| 3-nitrotyrosine | [no description available] | medium | 1 | 0 | 2-nitrophenols;
C-nitro compound;
nitrotyrosine;
non-proteinogenic alpha-amino acid | |
| 2-(1-hexyloxyethyl)-2-devinyl pyropheophorbide-a | [no description available] | medium | 1 | 0 | | |
| silver | [no description available] | medium | 3 | 0 | copper group element atom;
elemental silver | Escherichia coli metabolite |
| ergosterol-5,8-peroxide | [no description available] | medium | 1 | 0 | 3beta-sterol;
ergostanoid;
organic peroxide;
phytosterols | antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug |
| galangin | [no description available] | medium | 3 | 0 | 7-hydroxyflavonol;
trihydroxyflavone | antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite |
| propylene glycol | [no description available] | medium | 1 | 0 | glycol;
propane-1,2-diols | allergen;
human xenobiotic metabolite;
mouse metabolite;
protic solvent |
| histidine | [no description available] | medium | 2 | 0 | amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| sulindac sulfone | [no description available] | medium | 1 | 0 | monocarboxylic acid;
organofluorine compound;
sulfone | apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
| leuprolide | [no description available] | medium | 3 | 0 | oligopeptide | anti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist |
| isosafrole | [no description available] | medium | 1 | 0 | benzodioxoles | |
| adipostatin a | [no description available] | medium | 1 | 0 | 5-alkylresorcinol | EC 1.1.5.3 (glycerol-3-phosphate dehydrogenase) inhibitor |
| imperatorin | [no description available] | medium | 4 | 0 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite |
| isoimperatorin | [no description available] | medium | 1 | 0 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite |
| bergamottin | [no description available] | medium | 3 | 0 | furanocoumarin | metabolite |
| coriandrin | [no description available] | medium | 2 | 0 | isocoumarins | |
| sitosterol, (3beta)-isomer | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol | anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor |
| gallocatechol | [no description available] | medium | 3 | 0 | gallocatechin | antioxidant;
metabolite;
radical scavenger |
| indocyanine green | [no description available] | medium | 2 | 0 | 1,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye | |
| 2-amino-3-methylimidazo(4,5-f)quinoline | [no description available] | medium | 2 | 0 | imidazoquinoline | carcinogenic agent |
| lonidamine | [no description available] | medium | 1 | 0 | dichlorobenzene;
indazoles;
monocarboxylic acid | antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector |
| phosphorus | [no description available] | medium | 6 | 1 | monoatomic phosphorus;
nonmetal atom;
pnictogen | macronutrient |
| indazoles | [no description available] | medium | 1 | 0 | indazole | |
| costunolide | [no description available] | medium | 1 | 0 | | |
| diallyl disulfide | [no description available] | medium | 2 | 0 | organic disulfide | antifungal agent;
antineoplastic agent;
plant metabolite |
| pimozide | [no description available] | medium | 1 | 0 | benzimidazoles;
heteroarylpiperidine;
organofluorine compound | antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| perifosine | [no description available] | medium | 1 | 0 | ammonium betaine;
phospholipid | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| fluocinolone | [no description available] | medium | 1 | 0 | fluorinated steroid | |
| sr 11302 | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
retinoid;
toluenes | antineoplastic agent;
AP-1 antagonist |
| benzo(c)phenanthrene | [no description available] | medium | 1 | 0 | benzenoid aromatic compound;
ortho-fused polycyclic arene | |
| 2-amino-3,4-dimethylimidazo(4,5-f)quinoline | [no description available] | medium | 1 | 0 | aminoquinoline | |
| miconazole | [no description available] | medium | 2 | 0 | dichlorobenzene;
ether;
imidazoles | |
| anethole trithione | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| phenethyl isothiocyanate | [no description available] | medium | 2 | 0 | isothiocyanate | antineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite |
| prazosin | [no description available] | medium | 1 | 0 | aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| ostruthin | [no description available] | medium | 1 | 0 | terpene lactone | metabolite |
| pyrilamine | [no description available] | medium | 2 | 0 | aromatic ether;
ethylenediamine derivative | H1-receptor antagonist |
| cimetidine | [no description available] | medium | 5 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| tiotidine | [no description available] | medium | 2 | 0 | thiazoles | |
| aminoglutethimide | [no description available] | medium | 8 | 1 | dicarboximide;
piperidones;
substituted aniline | adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| anastrozole | [no description available] | medium | 2 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| em 800 | [no description available] | medium | 3 | 0 | | |
| 1-(2-chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea | [no description available] | medium | 1 | 0 | | |
| retinamide | [no description available] | medium | 1 | 1 | | |
| carbon tetrachloride | [no description available] | medium | 6 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
| bromobenzene | [no description available] | medium | 1 | 0 | bromoarene;
bromobenzenes;
volatile organic compound | hepatotoxic agent;
mouse metabolite;
non-polar solvent |
| octylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | metabolite |
| benzphetamine | [no description available] | medium | 2 | 0 | amphetamines;
tertiary amine | adrenergic uptake inhibitor;
appetite depressant;
dopamine uptake inhibitor;
sympathomimetic agent |
| 7-ethoxy-4-trifluoromethylcoumarin | [no description available] | medium | 1 | 0 | | |
| glycogen | [no description available] | medium | 1 | 0 | | |
| selegiline | [no description available] | medium | 2 | 0 | selegiline;
terminal acetylenic compound | geroprotector |
| ferrous sulfate | [no description available] | medium | 2 | 0 | iron molecular entity;
metal sulfate | reducing agent |
| 5-methylchrysene | [no description available] | medium | 1 | 0 | carbopolycyclic compound | |
| 6-methyl-1,3,8-trichlorodibenzofuran | [no description available] | medium | 1 | 0 | | |
| 1,2-dioctanoylglycerol | [no description available] | medium | 2 | 0 | | |
| 3,4,3',4'-tetrachlorobiphenyl | [no description available] | medium | 3 | 0 | dichlorobenzene;
tetrachlorobiphenyl | |
| chlordecone | [no description available] | medium | 1 | 0 | cyclic ketone;
organochlorine compound | insecticide;
persistent organic pollutant |
| diosmetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid;
monomethoxyflavone;
trihydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
plant metabolite;
tropomyosin-related kinase B receptor agonist;
vasodilator agent |
| dibenzoylmethane | [no description available] | medium | 4 | 0 | aromatic ketone;
beta-diketone | antimutagen;
antineoplastic agent;
metabolite |
| squalamine | [no description available] | medium | 1 | 0 | bile acid | |
| styrene | [no description available] | medium | 1 | 0 | styrenes;
vinylarene;
volatile organic compound | mouse metabolite;
mutagen;
plant metabolite |
| pheophytin a | [no description available] | medium | 2 | 0 | | |
| chlorophyll b | [no description available] | medium | 1 | 0 | chlorophyll | cofactor |
| 1-o-hexyl-2,3,5-trimethylhydroquinone | [no description available] | medium | 1 | 0 | | |
| phytosterols | [no description available] | medium | 3 | 0 | | |
| cycloartenol | [no description available] | medium | 1 | 0 | 3beta-sterol;
pentacyclic triterpenoid;
phytosterols | plant metabolite |
| deferoxamine | [no description available] | medium | 1 | 0 | acyclic desferrioxamine | bacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore |
| n-nitrosopyrrolidine | [no description available] | medium | 1 | 0 | pyrrolidines | |
| n-nitrosopiperidine | [no description available] | medium | 1 | 0 | nitrosamine;
piperidine | apoptosis inducer;
carcinogenic agent;
environmental contaminant;
mutagen |
| pentoxyresorufin | [no description available] | medium | 1 | 0 | | |
| thearubigin | [no description available] | medium | 2 | 0 | | |
| propoxur | [no description available] | medium | 1 | 0 | aromatic ether;
carbamate ester | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| chelerythrine | [no description available] | medium | 1 | 0 | benzophenanthridine alkaloid;
organic cation | antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
| proanthocyanidin | [no description available] | medium | 2 | 0 | | |
| thapsigargin | [no description available] | medium | 2 | 0 | butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone | calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
| egtazic acid | [no description available] | medium | 1 | 0 | diether;
tertiary amino compound;
tetracarboxylic acid | chelator |
| cholecalciferol | [no description available] | medium | 1 | 0 | D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone | geroprotector;
human metabolite |
| 4'-demethylepipodophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole;
organic heterotetracyclic compound;
phenols | antineoplastic agent |
| podophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| fumonisin b1 | [no description available] | medium | 2 | 0 | diester;
fumonisin;
primary amino compound;
triol | carcinogenic agent;
metabolite |
| phosphotyrosine | [no description available] | medium | 1 | 0 | L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid;
O(4)-phosphotyrosine | Escherichia coli metabolite;
immunogen |
| tyrphostin a23 | [no description available] | medium | 1 | 0 | catechols | |
| zearalenone | [no description available] | medium | 2 | 0 | macrolide;
resorcinols | fungal metabolite;
mycoestrogen |
| rhodamine 123 | [no description available] | medium | 1 | 0 | organic cation;
xanthene dye | fluorochrome |
| procyanidin b5 | [no description available] | medium | 1 | 0 | biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin | metabolite |
| procyanidin b2 | [no description available] | medium | 2 | 0 | biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin | antioxidant;
metabolite |
| 1-oleoyl-2-acetylglycerol | [no description available] | medium | 1 | 0 | 1,2-diglyceride | |
| diepoxybutane | [no description available] | medium | 1 | 0 | epoxide | mutagen |
| carbostyril | [no description available] | medium | 1 | 0 | monohydroxyquinoline;
quinolone | bacterial xenobiotic metabolite |
| 1,2-dithiol-3-thione | [no description available] | medium | 1 | 0 | 1,2-dithiole | |
| propylnitrosourea | [no description available] | medium | 1 | 0 | | |
| n-nitroso(di-n-propyl)amine | [no description available] | medium | 1 | 0 | nitroso compound | |
| procarbazine | [no description available] | medium | 4 | 0 | benzamides;
hydrazines | antineoplastic agent |
| b 220 | [no description available] | medium | 1 | 0 | | |
| 1-aminobenzotriazole | [no description available] | medium | 1 | 0 | | |
| carbon monoxide | [no description available] | medium | 5 | 0 | carbon oxide;
gas molecular entity;
one-carbon compound | biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent |
| n-ethyl-n-hydroxyethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine;
primary alcohol | carcinogenic agent |
| triethylenephosphoramide | [no description available] | medium | 1 | 0 | phosphoramide | |
| quinalphos | [no description available] | medium | 1 | 0 | organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| euphol | [no description available] | medium | 1 | 0 | triterpenoid | |
| 5-hydroxyindole | [no description available] | medium | 1 | 0 | hydroxyindoles | human metabolite |
| benz(c)acridine | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound;
polycyclic heteroarene | |
| acridines | [no description available] | medium | 6 | 0 | acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene | genotoxin |
| acetoxyestrone | [no description available] | medium | 1 | 0 | | |
| interferons | [no description available] | medium | 1 | 0 | | |
| spinasterol | [no description available] | medium | 1 | 0 | steroid | |
| 16-fluoroestradiol | [no description available] | medium | 2 | 0 | | |
| methylselenic acid | [no description available] | medium | 1 | 0 | one-carbon compound;
organoselenium compound | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
human xenobiotic metabolite |
| motexafin lutetium | [no description available] | medium | 1 | 0 | | |
| motexafin gadolinium | [no description available] | medium | 1 | 0 | | |
| nitrofurazone | [no description available] | medium | 1 | 0 | | |
| 3,4-dihydroxyphenylacetic acid | [no description available] | medium | 2 | 0 | catechols;
dihydroxyphenylacetic acid | human metabolite |
| myricanone | [no description available] | medium | 1 | 0 | aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols | antineoplastic agent;
plant metabolite |
| bepridil | [no description available] | medium | 2 | 0 | pyrrolidines;
tertiary amine | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| 10-carboxymethyl-9-acridanone | [no description available] | medium | 1 | 0 | acridines | |
| 3,3',4',5,6,7,8-heptamethoxyflavone | [no description available] | medium | 1 | 0 | ether;
flavonoids | |
| palmitic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite |
| phencyclidine | [no description available] | medium | 2 | 0 | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug |
| chromium | [no description available] | medium | 2 | 0 | chromium group element atom;
metal allergen | micronutrient |
| arginyl-glycyl-aspartic acid | [no description available] | medium | 1 | 0 | oligopeptide | |
| alpha-carotene | [no description available] | medium | 2 | 0 | carotenoid beta-end derivative;
cyclic carotene | plant metabolite;
provitamin A |
| lutein | [no description available] | medium | 1 | 0 | carotenol | food colouring;
plant metabolite |
| cryptoxanthins | [no description available] | medium | 1 | 0 | carotenol | antioxidant;
biomarker;
plant metabolite;
provitamin A |
| zeaxanthin | [no description available] | medium | 1 | 0 | carotenol | antioxidant;
bacterial metabolite;
cofactor |
| apyrase | [no description available] | medium | 1 | 0 | | |
| acetaminophen | [no description available] | medium | 2 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| pentetic acid | [no description available] | medium | 1 | 0 | pentacarboxylic acid | copper chelator |
| hypoxanthine | [no description available] | medium | 1 | 0 | nucleobase analogue;
oxopurine;
purine nucleobase | fundamental metabolite |
| pectins | [no description available] | medium | 1 | 0 | D-galactopyranuronic acid | |
| decamethrin | [no description available] | medium | 1 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound | agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide |
| arsenic | [no description available] | medium | 5 | 0 | metalloid atom;
pnictogen | micronutrient |
| dimethylarsine | [no description available] | medium | 1 | 0 | | |
| zineb | [no description available] | medium | 3 | 0 | dithiocarbamate salt;
macromolecule;
zinc coordination entity | antifungal agrochemical |
| maneb | [no description available] | medium | 3 | 0 | | |
| nabam | [no description available] | medium | 3 | 0 | dithiocarbamic acids | |
| pirinixic acid | [no description available] | medium | 1 | 0 | aryl sulfide;
organochlorine compound;
pyrimidines | |
| kutkin | [no description available] | medium | 1 | 0 | | |
| vanillic acid | [no description available] | medium | 1 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | plant metabolite |
| testosterone enanthate | [no description available] | medium | 1 | 0 | heptanoate ester;
sterol ester | androgen |
| nitroblue tetrazolium | [no description available] | medium | 3 | 0 | organic cation | |
| corilagin | [no description available] | medium | 1 | 0 | ellagitannin;
gallate ester | antihypertensive agent;
antioxidant;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
non-steroidal anti-inflammatory drug |
| geraniin | [no description available] | medium | 1 | 0 | | |
| 5-aminolevulinic acid hexyl ester | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| boron | [no description available] | medium | 1 | 0 | boron group element atom;
metalloid atom;
nonmetal atom | micronutrient |
| glaucarubolone | [no description available] | medium | 1 | 0 | triterpenoid | |
| bruceantin | [no description available] | medium | 1 | 0 | triterpenoid | |
| glaucarubin | [no description available] | medium | 1 | 0 | | |
| bruceoside a | [no description available] | medium | 1 | 0 | | |
| brusatol | [no description available] | medium | 1 | 0 | triterpenoid | |
| cosyntropin | [no description available] | medium | 1 | 0 | | |
| trans-2,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 1 | 0 | stilbenoid | |
| i(3)so3-galactosylceramide | [no description available] | medium | 1 | 0 | galactosylceramide sulfate;
N-acyl-beta-D-galactosylsphingosine | |
| roseoside | [no description available] | medium | 1 | 0 | | |
| procyanidin b1 | [no description available] | medium | 1 | 0 | biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin | anti-inflammatory agent;
EC 3.4.21.5 (thrombin) inhibitor;
metabolite |
| methyl gallate | [no description available] | medium | 1 | 0 | gallate ester | anti-inflammatory agent;
antioxidant;
plant metabolite |
| cafestol | [no description available] | medium | 2 | 0 | diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite |
| kahweol | [no description available] | medium | 2 | 0 | diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite |
| 2-propanol | [no description available] | medium | 2 | 0 | secondary alcohol;
secondary fatty alcohol | protic solvent |
| nadp | [no description available] | medium | 8 | 0 | | |
| idoxuridine | [no description available] | medium | 3 | 0 | organoiodine compound;
pyrimidine 2'-deoxyribonucleoside | antiviral drug;
DNA synthesis inhibitor |
| cyclofenil | [no description available] | medium | 1 | 0 | organic molecular entity | |
| tricaprylin | [no description available] | medium | 1 | 0 | octanoate ester;
triglyceride | anticonvulsant;
plant metabolite |
| methylazoxymethanol acetate | [no description available] | medium | 1 | 0 | azoxy compound | |
| deoxycholic acid | [no description available] | medium | 1 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human blood serum metabolite |
| angelica lactone | [no description available] | medium | 1 | 0 | angelica lactone;
butenolide | |
| lomustine | [no description available] | medium | 1 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent |
| naloxone | [no description available] | medium | 1 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
| ozone | [no description available] | medium | 2 | 0 | elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen | antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer |
| 2-naphthylamine | [no description available] | medium | 1 | 0 | naphthylamine | carcinogenic agent |
| acriflavine | [no description available] | medium | 1 | 0 | | |
| proflavine | [no description available] | medium | 2 | 0 | aminoacridines | antibacterial agent;
antiseptic drug;
carcinogenic agent;
chromophore;
intercalator |
| etiocholanolone | [no description available] | medium | 2 | 0 | 17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid | human metabolite;
mouse metabolite |
| androstane-3,17-dione, (5alpha)-isomer | [no description available] | medium | 1 | 0 | 3-oxo-5alpha-steroid;
androstane-3,17-dione | mouse metabolite |
| aminopropionitrile | [no description available] | medium | 2 | 0 | aminopropionitrile | antineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite |
| edetic acid | [no description available] | medium | 2 | 0 | ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid | anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector |
| nickel | [no description available] | medium | 2 | 0 | metal allergen;
nickel group element atom | epitope;
micronutrient |
| piperonyl butoxide | [no description available] | medium | 1 | 0 | benzodioxoles | pesticide synergist |
| 4-acetylaminobiphenyl | [no description available] | medium | 1 | 0 | biphenyls | |
| n-hydroxy-4-acetylaminobiphenyl | [no description available] | medium | 1 | 0 | hydroxamic acid | |
| flufenamic acid | [no description available] | medium | 1 | 0 | aromatic amino acid;
organofluorine compound | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| gentamicin | [no description available] | medium | 1 | 0 | | |
| streptomycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
antibiotic fungicide;
streptomycins | antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor |
| penicillin g | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin | antibacterial drug;
drug allergen;
epitope |
| peptones | [no description available] | medium | 2 | 0 | | |
| methyltestosterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone | anabolic agent;
androgen;
antineoplastic agent |
| nitrosomethylurethane | [no description available] | medium | 1 | 0 | carboxylic ester | |
| megestrol | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive |
| triamcinolone acetonide | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-allergic agent;
anti-inflammatory drug |
| adenosine | [no description available] | medium | 2 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
| ditiocarb | [no description available] | medium | 1 | 0 | dithiocarbamic acids | chelator;
copper chelator |
| disulfiram | [no description available] | medium | 3 | 0 | organic disulfide;
organosulfur acaricide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor |
| fluorine | [no description available] | medium | 5 | 0 | diatomic fluorine;
gas molecular entity | NMR chemical shift reference compound |
| gestrinone | [no description available] | medium | 1 | 0 | oxo steroid | |
| dichlorodiphenyldichloroethane | [no description available] | medium | 1 | 0 | chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide | xenobiotic metabolite |
| dichlorodiphenyl dichloroethylene | [no description available] | medium | 1 | 0 | chlorophenylethylene;
monochlorobenzenes | human xenobiotic metabolite;
persistent organic pollutant |
| nafoxidine | [no description available] | medium | 1 | 0 | benzenes;
naphthalenes;
ring assembly | |
| lisuride | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist |
| dironyl | [no description available] | medium | 1 | 0 | organic molecular entity | |
| mannose | [no description available] | medium | 1 | 0 | D-aldohexose;
D-mannose;
mannopyranose | metabolite |
| dihydroxyphenylalanine | [no description available] | medium | 1 | 0 | hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative | human metabolite |
| 17-ketosteroids | [no description available] | medium | 1 | 0 | | |
| desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| coralyne | [no description available] | medium | 2 | 0 | isoquinolines | |
| quinacrine | [no description available] | medium | 1 | 0 | acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound | antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
| g(m3) ganglioside | [no description available] | medium | 1 | 0 | alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide;
sialodiosylceramide;
sialotriaosylceramide | mouse metabolite |
| glucosamine | [no description available] | medium | 1 | 0 | D-glucosamine | Escherichia coli metabolite;
geroprotector;
mouse metabolite |
| indole-3-acetonitrile | [no description available] | medium | 1 | 0 | indoles;
nitrile | auxin;
human xenobiotic metabolite;
plant hormone;
plant metabolite |
| ammonium sulfate | [no description available] | medium | 1 | 0 | ammonium salt;
inorganic sulfate salt | fertilizer |
| orabase | [no description available] | medium | 1 | 0 | | |
| phenformin | [no description available] | medium | 1 | 0 | biguanides | antineoplastic agent;
geroprotector;
hypoglycemic agent |
| cantharidin | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride;
monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide |
| secobarbital | [no description available] | medium | 1 | 0 | barbiturates | anaesthesia adjuvant;
GABA modulator;
sedative |
| pentobarbital | [no description available] | medium | 1 | 0 | barbiturates | GABAA receptor agonist |
| valerates | [no description available] | medium | 1 | 0 | short-chain fatty acid anion;
straight-chain saturated fatty acid anion | plant metabolite |
| malathion | [no description available] | medium | 1 | 0 | diester;
ethyl ester;
organic thiophosphate | |
| bilirubin | [no description available] | medium | 1 | 0 | biladienes;
dicarboxylic acid | antioxidant;
human metabolite;
mouse metabolite |
| nafenopin | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid | |
| sulfobromophthalein | [no description available] | medium | 1 | 0 | 2-benzofurans;
organobromine compound;
organosulfonic acid;
phenols | dye |
| chlorphenesin | [no description available] | medium | 1 | 0 | glycol;
monochlorobenzenes;
propane-1,2-diols | antibacterial drug;
antifungal drug;
muscle relaxant |
| iodoacetamide | [no description available] | medium | 2 | 0 | | |
| amitrole | [no description available] | medium | 1 | 0 | aromatic amine;
triazoles | carotenoid biosynthesis inhibitor;
EC 1.11.1.6 (catalase) inhibitor;
herbicide |
| ethylmaleimide | [no description available] | medium | 1 | 0 | maleimides | anticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor |
| cyanides | [no description available] | medium | 1 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
| nitrosoguanidines | [no description available] | medium | 1 | 0 | | |
| ethionine | [no description available] | medium | 1 | 0 | S-ethylhomocysteine | antimetabolite;
carcinogenic agent |
| lanthanum | [no description available] | medium | 1 | 0 | f-block element atom;
lanthanoid atom;
scandium group element atom | |
| peracetic acid | [no description available] | medium | 1 | 0 | a peroxy acid | disinfectant;
oxidising agent |
| peroxybenzoic acid | [no description available] | medium | 1 | 0 | | |
| 5-hydroxytryptophan | [no description available] | medium | 1 | 0 | hydroxytryptophan | human metabolite;
neurotransmitter |
| propiolactone | [no description available] | medium | 2 | 0 | propan-3-olide | |
| zoxazolamine | [no description available] | medium | 1 | 0 | benzoxazole | |
| n-vinyl-2-pyrrolidinone | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | |
| oxyquinoline | [no description available] | medium | 2 | 0 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
| barbital | [no description available] | medium | 1 | 0 | barbiturates | drug allergen |
| methylthiouracil | [no description available] | medium | 2 | 0 | pyrimidone | |
| cyanoketone | [no description available] | medium | 1 | 0 | | |
| androstane-3,17-diol | [no description available] | medium | 2 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
androstanoid | |
| dinitrobenzenes | [no description available] | medium | 2 | 0 | | |
| spironolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester | aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| rifampin | [no description available] | medium | 1 | 0 | cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion | angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor |
| rifamycins | [no description available] | medium | 1 | 0 | | |
| 7,12-benz(a)anthraquinone | [no description available] | medium | 1 | 0 | | |
| soyasaponin bb | [no description available] | medium | 1 | 0 | carbohydrate acid derivative;
pentacyclic triterpenoid;
trisaccharide derivative;
triterpenoid saponin | sialyltransferase inhibitor |
| 7-hydroxy-6,4'-dimethoxyisoflavone | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | plant metabolite |
| g(m1) ganglioside | [no description available] | medium | 1 | 0 | alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine;
sialotetraosylceramide | |
| cadmium chloride | [no description available] | medium | 1 | 0 | cadmium coordination entity | |
| nickel chloride | [no description available] | medium | 1 | 0 | nickel coordination entity | calcium channel blocker;
hapten |
| asialo gm1 ganglioside | [no description available] | medium | 1 | 0 | | |
| tolonium chloride | [no description available] | medium | 2 | 0 | | |
| stearylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | film-forming compound |
| glycocholic acid | [no description available] | medium | 1 | 0 | bile acid glycine conjugate | human metabolite |
| pregnenolone carbonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile | |
| nitrosobis(2-oxopropyl)amine | [no description available] | medium | 1 | 0 | ketone;
nitrosamine | carcinogenic agent |
| benzotriphenylene | [no description available] | medium | 1 | 0 | carbopolycyclic compound | |
| trimethylselenonium | [no description available] | medium | 1 | 0 | organic cation | human xenobiotic metabolite |
| cetrorelix | [no description available] | medium | 1 | 0 | oligopeptide | antineoplastic agent;
GnRH antagonist |
| zinostatin | [no description available] | medium | 1 | 0 | | |
| maleic anhydride | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride;
furans | allergen |
| folligen | [no description available] | medium | 1 | 0 | | |
| ovurelin | [no description available] | medium | 1 | 0 | | |
| carbaryl | [no description available] | medium | 1 | 0 | carbamate ester;
naphthalenes | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant |
| beta-(5-hydroxy-2-pyridyl)alanine | [no description available] | medium | 1 | 0 | | |
| amitriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound;
tertiary amine | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic |
| selenobetaine | [no description available] | medium | 2 | 0 | | |
| s-methylcysteine | [no description available] | medium | 1 | 0 | S-alkyl-L-cysteine zwitterion;
S-alkyl-L-cysteine | human urinary metabolite;
plant metabolite |
| cystamine | [no description available] | medium | 1 | 0 | organic disulfide;
primary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor |
| betaine | [no description available] | medium | 2 | 0 | amino-acid betaine;
glycine derivative | fundamental metabolite |
| cysteamine | [no description available] | medium | 1 | 0 | amine;
thiol | geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent |
| selenomethylselenocysteine | [no description available] | medium | 3 | 0 | non-proteinogenic alpha-amino acid;
selenocysteines | antineoplastic agent;
human metabolite |
| selenocystamine | [no description available] | medium | 1 | 0 | organoselenium compound | |
| carveol | [no description available] | medium | 1 | 0 | limonene monoterpenoid | plant metabolite;
volatile oil component |
| cryptoporic acid e | [no description available] | medium | 1 | 0 | | |
| cromolyn sodium | [no description available] | medium | 2 | 0 | organic sodium salt | anti-asthmatic drug;
drug allergen |
| oligonucleotides | [no description available] | medium | 1 | 0 | | |
| maxacalcitol | [no description available] | medium | 1 | 0 | organic molecular entity | |
| prostaglandins b | [no description available] | medium | 1 | 0 | | |
| alprostadil | [no description available] | medium | 3 | 0 | prostaglandins E | anticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent |
| oc 5186 | [no description available] | medium | 1 | 0 | | |
| 5-chloro-2'-deoxycytidine | [no description available] | medium | 1 | 0 | | |
| rogletimide | [no description available] | medium | 1 | 0 | | |
| thiazolidine-4-carboxylic acid | [no description available] | medium | 2 | 0 | alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
sulfur-containing amino acid;
thiazolidinemonocarboxylic acid | antidote;
antioxidant;
hepatoprotective agent |
| dimethylselenoxide | [no description available] | medium | 1 | 0 | | |
| atamestane | [no description available] | medium | 3 | 0 | | |
| isoliquiritigenin | [no description available] | medium | 1 | 0 | chalcones | antineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist |
| selenomethionine | [no description available] | medium | 5 | 0 | selenoamino acid;
selenomethionines | plant metabolite |
| enkephalin, methionine | [no description available] | medium | 3 | 0 | | |
| beta-endorphin | [no description available] | medium | 3 | 0 | | |
| pyrazole | [no description available] | medium | 2 | 0 | pyrazole | |
| dipyridamole | [no description available] | medium | 1 | 0 | piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol | adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent |
| 2-ethynylnaphthalene | [no description available] | medium | 2 | 0 | | |
| clorgyline | [no description available] | medium | 2 | 0 | aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound | antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| glycyrrhizic acid | [no description available] | medium | 2 | 0 | enone;
glucosiduronic acid;
pentacyclic triterpenoid;
tricarboxylic acid;
triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor;
plant metabolite |
| fura-2 | [no description available] | medium | 1 | 0 | | |
| myrcene | [no description available] | medium | 1 | 0 | monoterpene | anabolic agent;
anti-inflammatory agent;
flavouring agent;
fragrance;
plant metabolite;
volatile oil component |
| neodymium | [no description available] | medium | 1 | 0 | f-block element atom;
lanthanoid atom | |
| yttrium | [no description available] | medium | 1 | 0 | d-block element atom;
rare earth metal atom;
scandium group element atom | |
| alpha-fluoro-beta-ureidopropionic acid | [no description available] | medium | 1 | 0 | carboxylic acid;
organohalogen compound | |
| alpha-fluoro-beta-alanine | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| beta-alanine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
beta-amino acid | agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter |
| allylamine | [no description available] | medium | 1 | 0 | alkylamine | |
| n,n'-methylenebisacrylamide | [no description available] | medium | 1 | 0 | | |
| trimethylolpropane triacrylate | [no description available] | medium | 1 | 0 | carbonyl compound | |
| neutral red | [no description available] | medium | 1 | 0 | hydrochloride | acid-base indicator;
dye;
two-colour indicator |
| tesmilifene | [no description available] | medium | 1 | 0 | diarylmethane | |
| troleandomycin | [no description available] | medium | 1 | 0 | acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic |
| dibenzo(a,l)pyrene 11,12-dihydrodiol | [no description available] | medium | 1 | 0 | | |
| sulfasalazine | [no description available] | medium | 1 | 0 | | |
| ebselen | [no description available] | medium | 1 | 0 | benzoselenazole | anti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger |
| selenic acid | [no description available] | medium | 2 | 0 | selenium oxoacid | |
| cystine | [no description available] | medium | 1 | 0 | | |
| selenocystine | [no description available] | medium | 1 | 0 | diselenide;
selenoamino acid | |
| alpha-linolenic acid | [no description available] | medium | 1 | 0 | linolenic acid;
omega-3 fatty acid | micronutrient;
mouse metabolite;
nutraceutical |
| bilobol | [no description available] | medium | 1 | 0 | 5-alkenylresorcinol | |
| 1,3-butadiene | [no description available] | medium | 1 | 0 | butadiene | carcinogenic agent;
mutagen |
| monocrotaline | [no description available] | medium | 1 | 0 | pyrrolizidine alkaloid | |
| diphenhydramine | [no description available] | medium | 1 | 0 | ether;
tertiary amino compound | anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative |
| 5-hydroxymethylchrysene | [no description available] | medium | 1 | 0 | | |
| benzidine | [no description available] | medium | 2 | 0 | biphenyls;
substituted aniline | carcinogenic agent |
| alpha-ergocryptine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
| phenylbenzoquinone | [no description available] | medium | 1 | 0 | | |
| phenylhydroquinone | [no description available] | medium | 1 | 0 | | |
| dibenzacridine | [no description available] | medium | 1 | 0 | | |
| norethindrone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol | progestin;
synthetic oral contraceptive |
| bradykinin | [no description available] | medium | 1 | 0 | oligopeptide | human blood serum metabolite;
vasodilator agent |
| 5,8,11,14-eicosatetraynoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
| ametantrone | [no description available] | medium | 2 | 0 | | |
| cyproterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester | androgen antagonist;
geroprotector;
progestin |
| 3-aminobenzamide | [no description available] | medium | 1 | 0 | benzamides;
substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| 3-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | |
| benzamide | [no description available] | medium | 1 | 0 | benzamides | |
| benzoic acid | [no description available] | medium | 1 | 0 | benzoic acids | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
| spiperone | [no description available] | medium | 2 | 0 | aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist |
| 4-hydroxytoremifene | [no description available] | medium | 1 | 0 | | |
| calyculin a | [no description available] | medium | 1 | 0 | | |
| anomalin | [no description available] | medium | 1 | 0 | | |
| thapsigargicin | [no description available] | medium | 1 | 0 | | |
| bropirimine | [no description available] | medium | 1 | 0 | pyrimidines | |
| c.i. 42510 | [no description available] | medium | 1 | 0 | | |
| peplomycin | [no description available] | medium | 1 | 0 | glycopeptide | |
| chondroitin sulfates | [no description available] | medium | 1 | 0 | | |
| acridine mustard | [no description available] | medium | 1 | 0 | acridines | intercalator |
| methylmethacrylate | [no description available] | medium | 1 | 0 | enoate ester;
methyl ester | allergen;
polymerisation monomer |
| amsacrine | [no description available] | medium | 1 | 0 | acridines;
aromatic ether;
sulfonamide | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| sodium dodecyl sulfate | [no description available] | medium | 1 | 0 | organic sodium salt | detergent;
protein denaturant |
| eperisone | [no description available] | medium | 1 | 0 | aromatic ketone;
piperidines | |
| d 609 | [no description available] | medium | 1 | 0 | | |
| androstenediol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid | androgen;
human metabolite;
mouse metabolite;
radiation protective agent |
| 3-hydroxybutyric acid | [no description available] | medium | 1 | 0 | (omega-1)-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
hydroxybutyric acid | human metabolite |
| 4-phenylphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
| carprofen | [no description available] | medium | 1 | 0 | carbazoles;
organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent |
| nomilin | [no description available] | medium | 1 | 0 | | |
| limonin | [no description available] | medium | 1 | 0 | epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound | inhibitor;
metabolite;
volatile oil component |
| trilostane | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile | abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor |
| dodecylbenzene | [no description available] | medium | 1 | 0 | | |
| 2,2'-azobis(2-amidinopropane) | [no description available] | medium | 1 | 0 | monoazo compound | |
| tert-butylhydroperoxide | [no description available] | medium | 1 | 0 | alkyl hydroperoxide | antibacterial agent;
oxidising agent |
| linalool | [no description available] | medium | 1 | 0 | monoterpenoid;
tertiary alcohol | antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component |
| galactose | [no description available] | medium | 1 | 0 | D-galactose;
galactopyranose | Escherichia coli metabolite;
mouse metabolite |
| 2-deoxy-2-fluorogalactose | [no description available] | medium | 1 | 0 | | |
| linoleic acid hydroperoxide | [no description available] | medium | 1 | 0 | | |
| methylurea | [no description available] | medium | 1 | 0 | ureas | |
| benzyl thiocyanate | [no description available] | medium | 1 | 0 | thiocyanates | |
| benzyl selenocyanate | [no description available] | medium | 1 | 0 | | |
| digitonin | [no description available] | medium | 1 | 0 | | |
| pindolol | [no description available] | medium | 1 | 0 | indoles;
secondary amine | antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent |
| cyanopindolol | [no description available] | medium | 1 | 0 | indoles | |
| dynorphins | [no description available] | medium | 1 | 0 | | |
| aplysiatoxin | [no description available] | medium | 2 | 0 | aplysiatoxins;
bromophenol;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
secondary alcohol;
spiroketal | algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist |
| palytoxin | [no description available] | medium | 1 | 0 | polyol | toxin |
| ranitidine | [no description available] | medium | 1 | 0 | C-nitro compound;
furans;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic |
| temarotene | [no description available] | medium | 2 | 0 | | |
| flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
| cholestyramine resin | [no description available] | medium | 2 | 0 | | |
| kemptide | [no description available] | medium | 1 | 0 | | |
| chrysotile | [no description available] | medium | 1 | 0 | | |
| asbestos, crocidolite | [no description available] | medium | 1 | 0 | | |
| edelfosine | [no description available] | medium | 2 | 0 | glycerophosphocholine | |
| lysophosphatidylcholines | [no description available] | medium | 1 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
| toluene | [no description available] | medium | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
| 17-alpha-hydroxyprogesterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone | human metabolite;
metabolite;
mouse metabolite;
progestin |
| isoflurophate | [no description available] | medium | 1 | 0 | dialkyl phosphate | |
| diethyl pyrocarbonate | [no description available] | medium | 1 | 0 | acyclic carboxylic anhydride | |
| 3-o-methylglucose | [no description available] | medium | 1 | 0 | D-aldohexose derivative | |
| acridine half-mustard | [no description available] | medium | 1 | 0 | aminoacridines;
aromatic ether;
organochlorine compound;
secondary amino compound | mutagen |
| nitrofurantoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic | antibacterial drug;
antiinfective agent;
hepatotoxic agent |
| ethoxyquin | [no description available] | medium | 1 | 0 | aromatic ether;
quinolines | antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator |
| bisacodyl | [no description available] | medium | 1 | 0 | diarylmethane | |
| dihydroxydiphenyl-pyridyl methane | [no description available] | medium | 1 | 0 | | |
| 17 alpha-hydroxyprogesterone caproate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| lead chromate | [no description available] | medium | 1 | 0 | chromium coordination entity;
lead coordination entity | carcinogenic agent;
nephrotoxin;
neurotoxin |
| gossypol | [no description available] | medium | 1 | 0 | | |
| hexobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| 2,6-dimethylnaphthalene | [no description available] | medium | 1 | 0 | dimethylnaphthalene | environmental contaminant |
| methylformamide | [no description available] | medium | 2 | 0 | formamides | |
| dimethyl sulfone | [no description available] | medium | 1 | 0 | sulfone | |
| ingenol | [no description available] | medium | 1 | 0 | cyclic terpene ketone;
tetracyclic diterpenoid | |
| 2-hydroxychavicol | [no description available] | medium | 1 | 0 | | |
| poloxalene | [no description available] | medium | 1 | 0 | epoxide | |
| thymopoietin iii | [no description available] | medium | 1 | 0 | | |
| cholanthrene | [no description available] | medium | 1 | 0 | | |
| thiodipropionic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
| 2-tert-butyl-4-methylphenol | [no description available] | medium | 1 | 0 | | |
| mitoguazone | [no description available] | medium | 1 | 0 | guanidines;
hydrazone | antineoplastic agent;
apoptosis inducer;
EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor |
| n(delta)-(n-methyl-n-nitrosocarbamoyl)-l-ornithine | [no description available] | medium | 1 | 0 | | |
| azaserine | [no description available] | medium | 1 | 0 | carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid | antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite |
| 4-hydroxyaminoquinoline-1-oxide | [no description available] | medium | 1 | 0 | | |
| phorbol-12,13-didecanoate | [no description available] | medium | 1 | 0 | | |
| ilmofosine | [no description available] | medium | 1 | 0 | | |
| 2,6-dihydroxyanthraquinone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | antimutagen;
plant metabolite |
| myricetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite |
| dibutylnitrosamine | [no description available] | medium | 1 | 0 | nitroso compound | |
| antineoplaston a10 | [no description available] | medium | 1 | 0 | | |
| 1-(1-glycero)dodeca-1,3,5,7,9-pentaene | [no description available] | medium | 1 | 0 | | |
| 7-((4'-aminophenyl)thio)-1,4-androstadiene-3,17-dione | [no description available] | medium | 1 | 0 | | |
| 2,6-di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone | [no description available] | medium | 1 | 0 | | |
| papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines | antispasmodic drug;
vasodilator agent |
| diethyl maleate | [no description available] | medium | 1 | 0 | ethyl ester;
maleate ester | glutathione depleting agent |
| nitrosocimetidine | [no description available] | medium | 1 | 0 | | |
| dinophysistoxin 1 | [no description available] | medium | 1 | 0 | ketal | animal metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
marine metabolite;
toxin |
| t-2 toxin | [no description available] | medium | 1 | 0 | | |
| diazoxide | [no description available] | medium | 1 | 0 | benzothiadiazine;
organochlorine compound;
sulfone | antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent |
| diethylhexyl phthalate | [no description available] | medium | 1 | 0 | diester;
phthalate ester | androstane receptor agonist;
apoptosis inhibitor;
plasticiser |
| sodium hydroxide | [no description available] | medium | 1 | 0 | alkali metal hydroxide | |
| fenitrothion | [no description available] | medium | 1 | 0 | C-nitro compound;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide |
| zindoxifene | [no description available] | medium | 1 | 0 | phenylindole | |
| ro 15-1570 | [no description available] | medium | 1 | 0 | | |
| 3,3'-dichlorobenzidine | [no description available] | medium | 1 | 0 | biphenyls;
monochlorobenzenes;
organochlorine compound | |
| 24,24-difluoro-1,25-dihydroxyvitamin d3 | [no description available] | medium | 1 | 0 | | |
| nopaline | [no description available] | medium | 1 | 0 | amino acid opine;
D-glutamic acid derivative;
guanidines;
L-arginine derivative;
secondary amino compound;
tricarboxylic acid | |
| indoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids;
monocarboxylic acid | auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite |
| octopine | [no description available] | medium | 1 | 0 | amino acid opine;
amino dicarboxylic acid;
D-alpha-amino acid zwitterion;
D-arginine derivative;
guanidines;
secondary amino compound | animal metabolite;
xenobiotic metabolite |
| tamoxifen aziridine | [no description available] | medium | 1 | 0 | | |
| ursolic acid | [no description available] | medium | 5 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | geroprotector;
plant metabolite |
| tridemorph | [no description available] | medium | 1 | 0 | morpholines;
tertiary amino compound | antifungal agrochemical |
| sabinene | [no description available] | medium | 7 | 0 | thujene | plant metabolite |
| isomethyleugenol | [no description available] | medium | 20 | 0 | isomethyleugenol | |
| cucurbitaceae | [no description available] | medium | 3 | 0 | | |
| calendula | [no description available] | medium | 1 | 0 | | |
| glyphosate | [no description available] | medium | 1 | 0 | glycine derivative;
phosphonic acid | agrochemical;
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor;
herbicide |
| iodinated glycerol | [no description available] | medium | 3 | 0 | dioxolane | |
| trazodone hydrochloride | [no description available] | medium | 4 | 0 | hydrochloride | adrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor |
| rosmarinic acid | [no description available] | medium | 3 | 0 | rosmarinic acid | geroprotector;
plant metabolite |
| hypericum | [no description available] | medium | 1 | 0 | penicillanic acids | |
| tribulus | [no description available] | medium | 1 | 0 | | |
| eye | [no description available] | medium | 2 | 0 | | |
| inositol 3-phosphate | [no description available] | medium | 1 | 0 | | |
| phenylephrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| guaifenesin | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| acetaldehyde | [no description available] | low | 0 | 0 | aldehyde | carcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent |
| 2-nitropropane | [no description available] | low | 0 | 0 | secondary nitroalkane | carcinogenic agent;
hepatotoxic agent;
polar aprotic solvent;
xenobiotic |
| hydroquinone | [no description available] | low | 0 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
| aristolochic acid i | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| busulfan | [no description available] | low | 0 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent |
| chlorambucil | [no description available] | low | 0 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| dacarbazine | [no description available] | low | 0 | 0 | imidazoles;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug |
| methapyrilene | [no description available] | low | 0 | 0 | ethylenediamine derivative | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative |
| patulin | [no description available] | low | 0 | 0 | furopyran;
gamma-lactone;
lactol | antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite |
| phenazopyridine | [no description available] | low | 0 | 0 | diaminopyridine;
monoazo compound | anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| sulfamethazine | [no description available] | low | 0 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic |
| dimazine | [no description available] | low | 0 | 0 | hydrazines | carcinogenic agent;
fuel;
teratogenic agent |
| hexachloroethane | [no description available] | low | 0 | 0 | chlorocarbon;
chloroethanes | carcinogenic agent;
refrigerant |
| bromoethane | [no description available] | low | 0 | 0 | bromoalkane;
bromohydrocarbon;
volatile organic compound | alkylating agent;
carcinogenic agent;
local anaesthetic;
refrigerant;
solvent |
| vinyl chloride | [no description available] | low | 0 | 0 | chloroethenes;
gas molecular entity;
monohaloethene | carcinogenic agent |
| methylene chloride | [no description available] | low | 0 | 0 | chloromethanes;
volatile organic compound | carcinogenic agent;
polar aprotic solvent;
refrigerant |
| vinylidene chloride | [no description available] | low | 0 | 0 | chloroethenes | carcinogenic agent;
mouse metabolite;
mutagen |
| trichloroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organochlorine compound | carcinogenic agent;
metabolite;
mouse metabolite |
| acriflavine chloride | [no description available] | low | 0 | 0 | organic chloride salt | antibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator |
| 2,6-xylidine | [no description available] | low | 0 | 0 | dimethylaniline;
primary arylamine | carcinogenic agent;
drug metabolite |
| 2-nitrotoluene | [no description available] | low | 0 | 0 | mononitrotoluene | carcinogenic agent;
environmental contaminant |
| 1-methylnaphthalene | [no description available] | low | 0 | 0 | methylnaphthalene | carcinogenic agent;
plant metabolite |
| 2-nitroanisole | [no description available] | low | 0 | 0 | 2-nitroanisoles | carcinogenic agent |
| 2-toluidine | [no description available] | low | 0 | 0 | aminotoluene | carcinogenic agent |
| benzotrichloride | [no description available] | low | 0 | 0 | benzenes;
organochlorine compound;
volatile organic compound | carcinogenic agent |
| benzoyl chloride | [no description available] | low | 0 | 0 | acyl chloride;
benzenes | carcinogenic agent |
| 4,4'-diaminodiphenylmethane | [no description available] | low | 0 | 0 | aromatic amine | allergen;
carcinogenic agent |
| ethylene dibromide | [no description available] | low | 0 | 0 | bromoalkane;
bromohydrocarbon | algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen |
| acrylonitrile | [no description available] | low | 0 | 0 | aliphatic nitrile;
volatile organic compound | antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent |
| furan | [no description available] | low | 0 | 0 | furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | carcinogenic agent;
hepatotoxic agent;
Maillard reaction product |
| chlorendic acid | [no description available] | low | 0 | 0 | bridged compound;
dicarboxylic acid;
organochlorine compound | carcinogenic agent |
| hexachlorobenzene | [no description available] | low | 0 | 0 | aromatic fungicide;
chlorobenzenes | antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant |
| methapyrilene hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative |
| phenazopyridine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| nitrilotriacetic acid | [no description available] | low | 0 | 0 | NTA;
tricarboxylic acid | carcinogenic agent;
nephrotoxic agent |
| estragole | [no description available] | low | 0 | 0 | alkenylbenzene;
monomethoxybenzene;
phenylpropanoid | carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite |
| diazomethane | [no description available] | low | 0 | 0 | diazo compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
poison |
| 4-methylcatechol | [no description available] | low | 0 | 0 | methylcatechol | antioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite |
| mustard gas | [no description available] | low | 0 | 0 | ethyl sulfide;
organochlorine compound | alkylating agent;
carcinogenic agent;
vesicant |
| bis(chloromethyl) ether | [no description available] | low | 0 | 0 | ether;
organochlorine compound | alkylating agent;
carcinogenic agent |
| malachite green | [no description available] | low | 0 | 0 | organic chloride salt | antibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent |
| 2,6-dichlorobenzoquinone | [no description available] | low | 0 | 0 | 1,4-benzoquinones;
organochlorine compound | carcinogenic agent;
poison |
| 4-methylimidazole | [no description available] | low | 0 | 0 | imidazoles | carcinogenic agent;
reaction intermediate |
| beryllium oxide | [no description available] | low | 0 | 0 | beryllium molecular entity;
metal oxide | carcinogenic agent |
| 1,5-naphthalenediamine | [no description available] | low | 0 | 0 | naphthalenediamine | carcinogenic agent |
| 5-methoxyindoleacetic acid | [no description available] | low | 0 | 0 | aromatic ether;
indole-3-acetic acids | antibacterial agent;
Brassica napus metabolite;
carcinogenic agent;
human urinary metabolite;
marine xenobiotic metabolite;
rat metabolite |
| cyclophosphamide | [no description available] | low | 0 | 0 | hydrate | alkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent |
| nitrosocarbaryl | [no description available] | low | 0 | 0 | carbamate ester;
naphthalenes;
nitroso compound | carcinogenic agent;
mutagen |
| phosphine | [no description available] | low | 0 | 0 | mononuclear parent hydride;
phosphanes;
phosphine | carcinogenic agent;
fumigant insecticide |
| sodium chromate(vi) | [no description available] | low | 0 | 0 | inorganic sodium salt | carcinogenic agent;
diagnostic agent;
oxidising agent;
poison |
| beryllium chloride | [no description available] | low | 0 | 0 | beryllium molecular entity;
inorganic chloride | carcinogenic agent;
genotoxin |
| cadmium nitrate | [no description available] | low | 0 | 0 | cadmium salt;
inorganic nitrate salt | carcinogenic agent;
genotoxin;
hepatotoxic agent |
| n-amyl-n-methylnitrosamine | [no description available] | low | 0 | 0 | nitrosamine | carcinogenic agent |
| n-nitrososarcosine | [no description available] | low | 0 | 0 | nitrosamine;
non-proteinogenic amino acid derivative | carcinogenic agent |
| ferric nitrilotriacetate | [no description available] | low | 0 | 0 | iron chelate | carcinogenic agent;
mutagen |
| 1,4-dioxane | [no description available] | low | 0 | 0 | dioxane;
volatile organic compound | carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent |
| butyl(3-carboxypropyl)nitrosamine | [no description available] | low | 0 | 0 | monocarboxylic acid;
nitrosamine | carcinogenic agent |
| 2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline | [no description available] | low | 0 | 0 | aromatic amine;
imidazoquinoxaline | carcinogenic agent;
genotoxin;
Maillard reaction product;
mutagen |
| musk xylene | [no description available] | low | 0 | 0 | C-nitro compound | carcinogenic agent;
explosive;
fragrance |
| scarlet red | [no description available] | low | 0 | 0 | azobenzenes;
bis(azo) compound;
naphthols | carcinogenic agent;
fluorochrome;
histological dye |
| xanthurenic acid 8-methyl ether | [no description available] | low | 0 | 0 | aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid | carcinogenic agent;
metabolite;
mouse metabolite |
| n-hydroxy-4-aminobiphenyl | [no description available] | low | 0 | 0 | aminobiphenyl;
N-substituted amine | carcinogenic agent;
human xenobiotic metabolite |
| aflatoxin q1 | [no description available] | low | 0 | 0 | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human xenobiotic metabolite |
| 4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol | [no description available] | low | 0 | 0 | nitrosamine;
pyridines;
secondary alcohol | biomarker;
carcinogenic agent;
human urinary metabolite |
| 2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | low | 0 | 0 | hydroxylamine;
imidazopyridine | carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
mouse metabolite;
mutagen;
neurotoxin;
rat metabolite |
| thiamethoxam | [no description available] | low | 0 | 0 | 1,3-thiazoles;
2-nitroguanidine derivative;
organochlorine compound;
oxadiazane | antifeedant;
carcinogenic agent;
environmental contaminant;
neonicotinoid insectide;
xenobiotic |
| aristolochic acid ii | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| ponceau mx | [no description available] | low | 0 | 0 | azobenzenes;
naphthalenesulfonic acid;
naphthols | carcinogenic agent;
cardiotoxic agent |
| aristolochic acid D | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
nephrotoxin;
toxin |
| methanearsonous acid | [no description available] | low | 0 | 0 | arsonous acids;
one-carbon compound | carcinogenic agent;
human xenobiotic metabolite;
poison |
| aristolochic acid c | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| sodium arsenite | [no description available] | low | 0 | 0 | arsenic molecular entity;
inorganic sodium salt | antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide |
| versicolorin a | [no description available] | low | 0 | 0 | cyclic acetal;
organic heteropentacyclic compound;
p-quinones;
polyphenol | Aspergillus metabolite;
carcinogenic agent |
| captax | [no description available] | low | 0 | 0 | aryl thiol;
benzothiazoles | carcinogenic agent;
metabolite |
| fumonisin b2 | [no description available] | low | 0 | 0 | diester;
diol;
fumonisin;
primary amino compound | Aspergillus metabolite;
carcinogenic agent |
| riddelliine | [no description available] | low | 0 | 0 | macrodiolide;
olefinic compound;
organic heterotricyclic compound;
pyrrolizine alkaloid | carcinogenic agent;
genotoxin;
mutagen |
| cyclosporine | [no description available] | low | 0 | 0 | homodetic cyclic peptide | anti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite |
| beryllium | [no description available] | low | 0 | 0 | alkaline earth metal atom;
elemental beryllium;
metal allergen | adjuvant;
carcinogenic agent;
epitope |
| riddelliine n-oxide | [no description available] | low | 0 | 0 | diol;
macrocyclic lactone;
olefinic compound;
organic heterotricyclic compound;
primary alcohol;
pyrrolizine alkaloid;
tertiary alcohol;
tertiary amine oxide | carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
Jacobaea metabolite;
mutagen;
rat metabolite |
| gw 501516 | [no description available] | low | 0 | 0 | 1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound | carcinogenic agent;
PPARbeta/delta agonist |
| 4-hydroxyestrone | [no description available] | low | 0 | 0 | 17-oxo steroid;
3-hydroxy steroid;
4-hydroxy steroid;
catechols;
phenolic steroid | carcinogenic agent;
estrogen;
human urinary metabolite |
| 3,6-diamino-10-methylacridinium chloride hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator |
| debromoaplysiatoxin | [no description available] | low | 0 | 0 | aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal | algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist |
| colibactin | [no description available] | low | 0 | 0 | 1,3-thiazoles;
azaspiro compound;
polyketide;
pyrroline;
secondary carboxamide | alkylating agent;
carcinogenic agent;
Escherichia coli metabolite;
genotoxin |
| tetrangulol | [no description available] | low | 0 | 0 | p-quinones;
phenols;
tetraphenes | bacterial metabolite |
| picene | [no description available] | low | 0 | 0 | ortho-fused polycyclic arene | |
| triphenylene | [no description available] | low | 0 | 0 | ortho-fused polycyclic arene | |