Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
2-(3-pyridine)acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; pyridines | human xenobiotic metabolite |
ureidosuccinic acid | [no description available] | medium | 1 | 0 | aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
arabinofuranosylcytosine triphosphate | [no description available] | medium | 1 | 0 | pyrimidine ribonucleoside monophosphate | |
aminoethylphosphonic acid | [no description available] | medium | 1 | 0 | phosphonic acids; primary amino compound; zwitterion | human metabolite; metabolite; mouse metabolite |
gamma-guanidinobutyric acid | [no description available] | medium | 1 | 0 | guanidines; monocarboxylic acid; zwitterion | fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
inositol | [no description available] | medium | 1 | 0 | cyclitol; hexol | |
pentachlorophenol | [no description available] | medium | 1 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
phenylalanine | [no description available] | medium | 1 | 0 | alpha-amino acid; aromatic amino acid | Daphnia magna metabolite |
nsc-267703 | [no description available] | medium | 1 | 0 | anthracycline | |
n-acetyltryptophan | [no description available] | medium | 1 | 0 | N-acetyl-amino acid; tryptophan derivative | metabolite |
tyrphostin ag957 | [no description available] | medium | 1 | 0 | aromatic amine | |
2-amino-4-phosphonobutyric acid | [no description available] | medium | 1 | 0 | | |
aristolochic acid i | [no description available] | medium | 1 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
benzylhydrochlorothiazide | [no description available] | medium | 1 | 0 | benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide | |
eucalyptol | [no description available] | medium | 1 | 0 | | |
amberlite cg 400 | [no description available] | medium | 1 | 0 | methyl ester; organic heteropentacyclic compound; yohimban alkaloid | |
stallimycin | [no description available] | medium | 1 | 0 | | |
domperidone | [no description available] | medium | 1 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
ellipticine | [no description available] | medium | 1 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
glyphosate | [no description available] | medium | 1 | 0 | glycine derivative; phosphonic acid | agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide |
haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
miltefosine | [no description available] | medium | 1 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
hypericin | [no description available] | medium | 1 | 0 | | |
imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
nsc 664704 | [no description available] | medium | 1 | 0 | indolobenzazepine; lactam; organobromine compound | cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector |
ketoconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
khellin | [no description available] | medium | 1 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
2-amino-3-phosphonopropionic acid | [no description available] | medium | 1 | 0 | alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids | human metabolite; metabotropic glutamate receptor antagonist |
benzylsuccinic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | bacterial xenobiotic metabolite |
beta-lapachone | [no description available] | medium | 1 | 0 | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
mesoridazine | [no description available] | medium | 1 | 0 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
methoxsalen | [no description available] | medium | 1 | 0 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
oxaprozin | [no description available] | medium | 1 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
penicillamine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid; thiol | |
pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
phenolsulfonphthalein | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole; arenesulfonate ester; phenols; sultone | acid-base indicator; diagnostic agent; two-colour indicator |
Picrotin, analytical standard | [no description available] | medium | 1 | 0 | furopyran | |
pomiferin | [no description available] | medium | 1 | 0 | isoflavanones | |
pridinol | [no description available] | medium | 1 | 0 | piperidines; tertiary alcohol | antiparkinson drug; muscle relaxant |
sulfaquinoxaline | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
suramin | [no description available] | medium | 1 | 0 | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
4-methylglutamic acid | [no description available] | medium | 1 | 0 | amino dicarboxylic acid; glutamic acid derivative | |
pilocarpine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
veratramine | [no description available] | medium | 1 | 0 | piperidine alkaloid | |
gibberellic acid | [no description available] | medium | 1 | 0 | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
santowhite powder | [no description available] | medium | 1 | 0 | | |
fentichlor | [no description available] | medium | 1 | 0 | aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol | antiinfective agent; drug allergen |
pyrrolidonecarboxylic acid | [no description available] | medium | 1 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
hexadecanolide | [no description available] | medium | 1 | 0 | macrolide | |
pamoic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
carzenide | [no description available] | medium | 1 | 0 | sulfonamide | |
estradiol 17 beta-cypionate | [no description available] | medium | 1 | 0 | steroid ester | |
lithocholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
jervine | [no description available] | medium | 1 | 0 | piperidines | |
bicuculline | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
salicylurate | [no description available] | medium | 1 | 0 | N-acylglycine; secondary carboxamide | human xenobiotic metabolite; uremic toxin |
3,5-pyridinedicarboxylic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | |
ricinine | [no description available] | medium | 1 | 0 | nitrile; pyridine alkaloid; pyridone | |
carinamide | [no description available] | medium | 1 | 0 | | |
3,5-dibromotyrosine | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
hematoporphyrin | [no description available] | medium | 1 | 0 | | |
1H-indazol-3-amine | [no description available] | medium | 1 | 0 | indazoles | |
1,1'-methylenedi-2-naphthol | [no description available] | medium | 1 | 0 | | |
tricarballylic acid | [no description available] | medium | 1 | 0 | tricarboxylic acid | |
popop | [no description available] | medium | 1 | 0 | 1,3-oxazoles | fluorochrome |
2-tert-butylhydroquinone | [no description available] | medium | 1 | 0 | hydroquinones | food antioxidant |
7-hydroxychlorpromazine | [no description available] | medium | 1 | 0 | phenothiazines | |
cme-carbodiimide | [no description available] | medium | 1 | 0 | | |
cyclacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
strombine | [no description available] | medium | 1 | 0 | | |
thymolphthalein | [no description available] | medium | 1 | 0 | terpene lactone | |
1,4,5,8-naphthalenetetracarboxylic acid | [no description available] | medium | 1 | 0 | | |
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | [no description available] | medium | 1 | 0 | anthracycline | |
hydroxyphenylazouracil | [no description available] | medium | 1 | 0 | | |
canadine | [no description available] | medium | 1 | 0 | aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle | |
pimonidazole | [no description available] | medium | 1 | 0 | | |
flavone acetic acid | [no description available] | medium | 1 | 0 | | |
trichlorophene | [no description available] | medium | 1 | 0 | | |
verapamil hydrochloride | [no description available] | medium | 1 | 0 | | |
4-aminomethylbenzoic acid | [no description available] | medium | 1 | 0 | benzoic acids | |
cedrol | [no description available] | medium | 1 | 0 | cedrane sesquiterpenoid; tertiary alcohol | |
propazole | [no description available] | medium | 1 | 0 | benzimidazoles | |
reserpic acid | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
pifexole | [no description available] | medium | 1 | 0 | | |
Diphenolic acid | [no description available] | medium | 1 | 0 | bisphenol | |
Melicopidine | [no description available] | medium | 1 | 0 | acridines | |
resorufin | [no description available] | medium | 1 | 0 | phenoxazine | |
vinburnine | [no description available] | medium | 1 | 0 | alkaloid | |
pacein | [no description available] | medium | 1 | 0 | | |
alantolactone | [no description available] | medium | 1 | 0 | naphthofuran; olefinic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; plant metabolite |
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide | [no description available] | medium | 1 | 0 | | |
tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
stictic acid | [no description available] | medium | 1 | 0 | aromatic ether | |
gallocyanine | [no description available] | medium | 1 | 0 | | |
propylsulfonic acid | [no description available] | medium | 1 | 0 | | |
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide | [no description available] | medium | 1 | 0 | carbodiimide; morpholines | cross-linking reagent |
6,6'-dithiodinicotinic acid | [no description available] | medium | 1 | 0 | | |
va 061 | [no description available] | medium | 1 | 0 | | |
n-acetyltyrosine, (dl)-isomer | [no description available] | medium | 1 | 0 | N-acetyl-amino acid; phenols; tyrosine derivative | human urinary metabolite |
cinchonine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
n(6)-(delta(2)-isopentenyl)adenine | [no description available] | medium | 1 | 0 | 6-isopentenylaminopurine | cytokinin |
2-Phthalimidoglutaricacid | [no description available] | medium | 1 | 0 | glutamic acid derivative | |
nsc-87877 | [no description available] | medium | 1 | 0 | | |
methyl lithocholate | [no description available] | medium | 1 | 0 | | |
nipecotic acid amide | [no description available] | medium | 1 | 0 | piperidinecarboxamide | |
dimethacrine | [no description available] | medium | 1 | 0 | acridines | |
dehydroabietic acid | [no description available] | medium | 1 | 0 | abietane diterpenoid; carbotricyclic compound; monocarboxylic acid | allergen; metabolite |
4-deoxypyridoxine 5'-phosphate | [no description available] | medium | 1 | 0 | | |
4-(phenylthio)butanoic acid | [no description available] | medium | 1 | 0 | | |
bis-a-tda | [no description available] | medium | 1 | 0 | | |
1-amino-2-phenylethylphosphonic acid | [no description available] | medium | 1 | 0 | | |
4-fluoro-alpha-hydroxybenzeneacetic acid | [no description available] | medium | 1 | 0 | | |
Isopteropodin | [no description available] | medium | 1 | 0 | indolizines | |
benzpiperylone | [no description available] | medium | 1 | 0 | pyrazoles; ring assembly | |
carboxyamido-triazole | [no description available] | medium | 1 | 0 | | |
nsc 607097 | [no description available] | medium | 1 | 0 | | |
pacifenol | [no description available] | medium | 1 | 0 | | |
n-phenyliminodiacetic acid | [no description available] | medium | 1 | 0 | | |
cyc 202 | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
cystamine hydrochloride | [no description available] | medium | 1 | 0 | | |
dipiperidinoethane-di-n-oxide | [no description available] | medium | 1 | 0 | | |
benzyl-beta-d-xyloside | [no description available] | medium | 1 | 0 | | |
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
2,4-dinitrophenylacetic acid | [no description available] | medium | 1 | 0 | | |
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 |
(5-Phenyl-1,2,4-triazol-3-yl)urea | [no description available] | medium | 1 | 0 | benzenes | |
fumagillol | [no description available] | medium | 1 | 0 | secondary alcohol; sesquiterpenoid; spiro-epoxide | antimicrobial agent |
vacquinol-1 | [no description available] | medium | 1 | 0 | | |
aspidospermine | [no description available] | medium | 1 | 0 | indole alkaloid | |
guaiol | [no description available] | medium | 1 | 0 | guaiane sesquiterpenoid | |
benzatropine methanesulfonate | [no description available] | medium | 1 | 0 | | |
pseudoyohimbine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
gant58 | [no description available] | medium | 1 | 0 | pyridines | |
nsc 88915 | [no description available] | medium | 1 | 0 | | |
o-acetylsolasodine | [no description available] | medium | 1 | 0 | | |
viroallosecurinine | [no description available] | medium | 1 | 0 | indolizines | |
4-methyl-2-quinazolinamine | [no description available] | medium | 1 | 0 | | |
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid | [no description available] | medium | 1 | 0 | | |
adamantoylcytarabine | [no description available] | medium | 1 | 0 | | |
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | naphthalenes | |
noscapine | [no description available] | medium | 1 | 0 | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
LSM-1290 | [no description available] | medium | 1 | 0 | benzazepine alkaloid; cyclic acetal | |
2-glycineamide-5-chlorophenyl-2-pyrryl ketone | [no description available] | medium | 1 | 0 | | |
nsc 154020 | [no description available] | medium | 1 | 0 | N-glycosyl compound | |
4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid | [no description available] | medium | 1 | 0 | 2-hydroxyisophthalic acid | |
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one | [no description available] | medium | 1 | 0 | cyclic ketone; quinuclidines | |
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine | [no description available] | medium | 1 | 0 | benzodioxoles | |
croton factor f1 | [no description available] | medium | 1 | 0 | phorbol ester; tertiary alpha-hydroxy ketone | |
medicarpin | [no description available] | medium | 1 | 0 | medicarpin | plant metabolite |
gitoxigenin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid | |
aromoline | [no description available] | medium | 1 | 0 | | |
nsc668394 | [no description available] | medium | 1 | 0 | | |
gant 61 | [no description available] | medium | 1 | 0 | aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound | antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor |
nortriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | geroprotector |
nsc 45641 | [no description available] | medium | 1 | 0 | | |
geraniol | [no description available] | medium | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
aconitic acid | [no description available] | medium | 1 | 0 | aconitic acid | fundamental metabolite |
amygdalin | [no description available] | medium | 1 | 0 | | |
alpha-phenylcinnamate | [no description available] | medium | 1 | 0 | | |
curcumin | [no description available] | medium | 1 | 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 |
ethyldimethylaminopropyl carbodiimide | [no description available] | medium | 1 | 0 | | |
tamoxifen citrate | [no description available] | medium | 1 | 0 | citrate salt | angiogenesis inhibitor; anticoronaviral agent |
eskazine | [no description available] | medium | 1 | 0 | | |
nsc 336628 | [no description available] | medium | 1 | 0 | | |
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one | [no description available] | medium | 1 | 0 | oxopurine | |
cambinol | [no description available] | medium | 1 | 0 | | |
nsc 117199 | [no description available] | medium | 1 | 0 | | |
mangostin | [no description available] | medium | 1 | 0 | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
coumestrol | [no description available] | medium | 1 | 0 | coumestans; delta-lactone; polyphenol | anti-inflammatory agent; antioxidant; plant metabolite |
rottlerin | [no description available] | medium | 1 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
ellagic acid | [no description available] | medium | 1 | 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 |
7,8-dimethylalloxazine | [no description available] | medium | 1 | 0 | 7,8-dimethylbenzo[g]pteridine-2,4-dione | plant metabolite |
dihydrothobainone | [no description available] | medium | 1 | 0 | | |
piperic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; benzodioxoles | plant metabolite |
abscisic acid | [no description available] | medium | 1 | 0 | abscisic acids | |
radicinin | [no description available] | medium | 1 | 0 | aromatic ketone | |
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid | [no description available] | medium | 1 | 0 | imidazopyrazine | |
hispanolone | [no description available] | medium | 1 | 0 | | |
veratridine | [no description available] | medium | 1 | 0 | | |
zimelidine hydrochloride | [no description available] | medium | 1 | 0 | | |
chlortetracycline hydrochloride | [no description available] | medium | 1 | 0 | | |
viridicatumtoxin | [no description available] | medium | 1 | 0 | | |
dacarbazine | [no description available] | medium | 1 | 0 | dacarbazine | |
hematein | [no description available] | medium | 1 | 0 | | |
castanospermine | [no description available] | medium | 1 | 0 | indolizidine alkaloid | anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite |
dactinomycin | [no description available] | medium | 1 | 0 | actinomycin | mutagen |
3-nitrotyrosine | [no description available] | medium | 1 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
tyrosine | [no description available] | medium | 1 | 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 |
chimyl alcohol | [no description available] | medium | 4 | 0 | alkylglycerol | |
naproxen | [no description available] | medium | 1 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
diclofenac | [no description available] | medium | 1 | 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 |
piroxicam | [no description available] | medium | 1 | 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 |
glycyrrhizic acid | [no description available] | medium | 1 | 0 | enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor; plant metabolite |
phytanic acid | [no description available] | medium | 1 | 0 | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | |
sesquiterpenes | [no description available] | medium | 1 | 0 | | |
gorgosterol | [no description available] | medium | 1 | 0 | steroid | |
cystamine | [no description available] | medium | 1 | 0 | organic disulfide; primary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor |
selachyl alcohol | [no description available] | medium | 1 | 0 | alkylglycerol | |
pentoxyl | [no description available] | medium | 1 | 0 | pyrimidone | |
thiotepa | [no description available] | medium | 1 | 0 | aziridines | |
leukogen | [no description available] | medium | 2 | 0 | | |
thiazolidines | [no description available] | medium | 2 | 0 | thiazolidine | |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 2 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
didanosine | [no description available] | medium | 1 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
acetone | [no description available] | medium | 1 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
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 |
guanine | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thymine | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite |
phosphatidylcholines | [no description available] | medium | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
cetyl alcohol | [no description available] | medium | 2 | 0 | hexadecanol; long-chain primary fatty alcohol | algal metabolite; flavouring agent; human metabolite; plant metabolite |
dihydroxyacetone | [no description available] | medium | 1 | 0 | ketotriose; primary alpha-hydroxy ketone | antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
glycerol | [no description available] | medium | 1 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
stearyl alcohol | [no description available] | medium | 1 | 0 | long-chain primary fatty alcohol; octadecanol | algal metabolite; human metabolite; plant metabolite |
glucosamine | [no description available] | medium | 2 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
6-methyltetrahydropterin | [no description available] | medium | 2 | 0 | pterins | |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 3 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
adenine | [no description available] | medium | 1 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
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 |
thiazoles | [no description available] | medium | 1 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
allantoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary |
oleic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
edelfosine | [no description available] | medium | 1 | 0 | glycerophosphocholine | |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 1 | 0 | tripeptide | |
monolaurin | [no description available] | medium | 1 | 0 | 1-monoglyceride; dodecanoate ester; rac-1-monoacylglycerol | |