Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
phthiocol | [no description available] | medium | 1 | 0 | | |
menoctone | [no description available] | medium | 1 | 0 | | |
hydrolapachol | [no description available] | medium | 1 | 0 | | |
etoposide | [no description available] | medium | 2 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
catechin | [no description available] | medium | 1 | 0 | catechin | antioxidant; plant metabolite |
topotecan | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
adipostatin a | [no description available] | medium | 1 | 0 | 5-alkylresorcinol | EC 1.1.5.3 (glycerol-3-phosphate dehydrogenase) inhibitor |
rapanone | [no description available] | medium | 5 | 0 | dihydroxy-1,4-benzoquinones | |
sitosterol, (3beta)-isomer | [no description available] | medium | 2 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol | anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor |
bilobol | [no description available] | medium | 1 | 0 | 5-alkenylresorcinol | |
koaburaside | [no description available] | medium | 1 | 0 | | |
lyoniside | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative; steroid saponin | plant metabolite |
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; dimethoxybenzene; lignan; monosaccharide derivative; polyphenol; primary alcohol; tetralins | antibacterial agent; antifungal agent; metabolite |
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone | [no description available] | medium | 2 | 0 | 1,4-benzoquinones | cofactor |
idebenone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; primary alcohol | antioxidant; ferroptosis inhibitor |
ubiquinone q1 | [no description available] | medium | 1 | 0 | ubiquinones | |
quinone | [no description available] | medium | 3 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
2,5-dimethyl-4-benzoquinone | [no description available] | medium | 1 | 0 | | |
thymoquinone | [no description available] | medium | 2 | 0 | 1,4-benzoquinones | adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite |
2-methyl-1,4-benzoquinone | [no description available] | medium | 1 | 0 | | |
2-tert-butyl-4-quinone | [no description available] | medium | 1 | 0 | | |
2,6-dimethoxy-1,4-benzoquinone | [no description available] | medium | 1 | 0 | | |
ubiquinone-o | [no description available] | medium | 1 | 0 | ubiquinones | Escherichia coli metabolite; human metabolite |
primin | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | allergen; antifeedant; antimicrobial agent; hapten; metabolite |
ubiquinone q2 | [no description available] | medium | 1 | 0 | ubiquinones | |
ubiquinone 9 | [no description available] | medium | 1 | 0 | ubiquinones | antioxidant; human metabolite |
coenzyme q10 | [no description available] | medium | 1 | 0 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
ubiquinone 6 | [no description available] | medium | 1 | 0 | ubiquinones | Saccharomyces cerevisiae metabolite |
4-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | allergen; metabolite |
indoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
melatonin | [no description available] | medium | 1 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
epibatidine | [no description available] | medium | 1 | 0 | alkaloid | |
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 |
5-methoxypsoralen | [no description available] | medium | 1 | 0 | 5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens | hepatoprotective agent; plant metabolite |
3,3'-diindolylmethane | [no description available] | medium | 3 | 0 | indoles | antineoplastic agent; P450 inhibitor |
ellipticine | [no description available] | medium | 1 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
emodin | [no description available] | medium | 1 | 0 | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor |
gossypol | [no description available] | medium | 1 | 0 | | |
hypericin | [no description available] | medium | 1 | 0 | | |
indole-3-carbinol | [no description available] | medium | 2 | 0 | indolyl alcohol | antineoplastic agent; plant metabolite |
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 |
khellin | [no description available] | medium | 2 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
kinetin | [no description available] | medium | 1 | 0 | 6-aminopurines; furans | cytokinin; geroprotector |
beta-lapachone | [no description available] | medium | 1 | 0 | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
lavendustin a | [no description available] | medium | 1 | 0 | aromatic amine | |
lavendustin b | [no description available] | medium | 1 | 0 | | |
vitamin k 3 | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
methoxsalen | [no description available] | medium | 1 | 0 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
myristicin | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one | [no description available] | medium | 1 | 0 | isoquinolines | |
patulin | [no description available] | medium | 1 | 0 | furopyran; gamma-lactone; lactol | antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite |
phloretin | [no description available] | medium | 1 | 0 | dihydrochalcones | antineoplastic agent; plant metabolite |
sanguinarine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent | |
streptonigrin | [no description available] | medium | 1 | 0 | pyridines; quinolone | antimicrobial agent; antineoplastic agent |
tetrahydropapaverine | [no description available] | medium | 1 | 0 | aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound | |
theobromine | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent |
trioxsalen | [no description available] | medium | 1 | 0 | psoralens | dermatologic drug; photosensitizing agent |
mitomycin | [no description available] | medium | 1 | 0 | mitomycin | alkylating agent; antineoplastic agent |
reserpine | [no description available] | medium | 1 | 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 |
pilocarpine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
cantharidin | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
physostigmine | [no description available] | medium | 1 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
kanamycin a | [no description available] | medium | 1 | 0 | kanamycins | bacterial metabolite |
veratramine | [no description available] | medium | 1 | 0 | piperidine alkaloid | |
phlorhizin | [no description available] | medium | 1 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | antioxidant; plant metabolite |
papaverine hydrochloride | [no description available] | medium | 1 | 0 | | |
colchicine | [no description available] | medium | 2 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
yohimbine hydrochloride | [no description available] | medium | 1 | 0 | | |
cycloheximide | [no description available] | medium | 1 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
gliotoxin | [no description available] | medium | 1 | 0 | dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole | antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor |
tubercidin | [no description available] | medium | 1 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside | antimetabolite; antineoplastic agent; bacterial metabolite |
veratridine | [no description available] | medium | 1 | 0 | steroid | sodium channel modulator |
gibberellic acid | [no description available] | medium | 1 | 0 | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
visnagin | [no description available] | medium | 1 | 0 | aromatic ether; furanochromone; polyketide | anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent |
rotenone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
skimmianine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
syrosingopine | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
gramine | [no description available] | medium | 1 | 0 | aminoalkylindole; indole alkaloid; tertiary amino compound | antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist |
methylergonovine | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
2,2'-methylenebis(4-methyl-6-tert-butylphenol) | [no description available] | medium | 1 | 0 | diarylmethane | |
indolebutyric acid | [no description available] | medium | 1 | 0 | indol-3-yl carboxylic acid | auxin; plant hormone; plant metabolite |
shikimic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
monocrotaline | [no description available] | medium | 1 | 0 | pyrrolizidine alkaloid | |
jervine | [no description available] | medium | 1 | 0 | piperidines | |
glycyrrhetinic acid | [no description available] | medium | 2 | 0 | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite |
boldine | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
indirubin | [no description available] | medium | 1 | 0 | | |
plumbagin | [no description available] | medium | 2 | 0 | hydroxy-1,4-naphthoquinone; phenols | anticoagulant; antineoplastic agent; immunological adjuvant; metabolite |
cepharanthine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
aloe emodin | [no description available] | medium | 1 | 0 | aromatic primary alcohol; dihydroxyanthraquinone | antineoplastic agent; plant metabolite |
osthol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; coumarins | metabolite |
cytisine | [no description available] | medium | 1 | 0 | alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound | nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite |
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 |
kainic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
oleanolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
podophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
hesperidin | [no description available] | medium | 2 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside | mutagen |
azomycin | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles | antitubercular agent |
Berberine chloride (TN) | [no description available] | medium | 2 | 0 | organic molecular entity | |
vincamine | [no description available] | medium | 1 | 0 | alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid | antihypertensive agent; metabolite; vasodilator agent |
muscarine | [no description available] | medium | 1 | 0 | | |
ecdysone | [no description available] | medium | 1 | 0 | 14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid | prohormone |
n-deacetyl-n-formylcolchicine | [no description available] | medium | 1 | 0 | cyclic ketone | |
camptothecin | [no description available] | medium | 1 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
tetradecanoylphorbol acetate | [no description available] | medium | 2 | 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 |
2-bromoergocryptine mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antiparkinson drug |
zingerone | [no description available] | medium | 1 | 0 | methyl ketone; monomethoxybenzene; phenols | anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent |
paclitaxel | [no description available] | medium | 3 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
phorbol 12,13-dibutyrate | [no description available] | medium | 1 | 0 | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
cephradine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug |
quisqualic acid | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
colforsin | [no description available] | medium | 1 | 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 |
swainsonine | [no description available] | medium | 1 | 0 | indolizidine alkaloid | antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite |
castanospermine | [no description available] | medium | 1 | 0 | indolizidine alkaloid | anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite |
daunorubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
mevastatin | [no description available] | medium | 1 | 0 | 2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite |
ursolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite |
norharman | [no description available] | medium | 1 | 0 | beta-carbolines; mancude organic heterotricyclic parent | fungal metabolite; marine metabolite |
betulinic acid | [no description available] | medium | 1 | 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 |
epigallocatechin gallate | [no description available] | medium | 3 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
baccatin iii | [no description available] | medium | 1 | 0 | acetate ester; benzoate ester; tetracyclic diterpenoid | plant metabolite |
taleranol | [no description available] | medium | 1 | 0 | macrolide | |
narasin | [no description available] | medium | 1 | 0 | diterpene glycoside | |
quassin | [no description available] | medium | 1 | 0 | triterpenoid | |
tomatidine | [no description available] | medium | 1 | 0 | 3beta-hydroxy steroid; azaspiro compound; oxaspiro compound | |
aloxistatin | [no description available] | medium | 1 | 0 | epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide | anticoronaviral agent; cathepsin B inhibitor |
rutecarpine | [no description available] | medium | 1 | 0 | beta-carbolines | |
bergenin | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | metabolite |
pinocembrin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; dihydroxyflavanone | antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent |
isoscopoletin | [no description available] | medium | 1 | 0 | aromatic ether; hydroxycoumarin | plant metabolite |
vinburnine | [no description available] | medium | 1 | 0 | alkaloid | |
epicatechin | [no description available] | medium | 1 | 0 | catechin; polyphenol | antioxidant |
hesperetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite |
magnolol | [no description available] | medium | 2 | 0 | biphenyls | |
honokiol | [no description available] | medium | 1 | 0 | biphenyls | |
chelerythrine chloride | [no description available] | medium | 1 | 0 | | |
betulin | [no description available] | medium | 1 | 0 | diol; pentacyclic triterpenoid | analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite |
tetrahydroalstonine | [no description available] | medium | 1 | 0 | methyl ester; organic heteropentacyclic compound; yohimban alkaloid | plant metabolite |
hernandezine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
picropodophyllin | [no description available] | medium | 1 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor |
tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
dehydrocostus lactone | [no description available] | medium | 1 | 0 | gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone | antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug |
madecassic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; pentacyclic triterpenoid; tetrol | antioxidant; plant metabolite |
panaxadiol | [no description available] | medium | 1 | 0 | triterpenoid saponin | |
tryptanthrine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
homoeriodictyol | [no description available] | medium | 1 | 0 | 3'-methoxyflavanones; 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | flavouring agent; metabolite |
4-hydroxyindole | [no description available] | medium | 1 | 0 | hydroxyindoles; phenols | |
eriocitrin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; rutinoside; trihydroxyflavanone | antioxidant |
7,8-dihydromethysticin | [no description available] | medium | 1 | 0 | 2-pyranones; aromatic ether | |
nicotine | [no description available] | medium | 1 | 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 |
cinchonine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
aucubin | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
lupinine | [no description available] | medium | 1 | 0 | quinolizidine alkaloid | |
matrine | [no description available] | medium | 1 | 0 | alkaloid | |
friedelin | [no description available] | medium | 1 | 0 | cyclic terpene ketone; pentacyclic triterpenoid | anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite |
catalpol | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
quinine hydrochloride | [no description available] | medium | 1 | 0 | | |
sarsasapogenin | [no description available] | medium | 1 | 0 | sapogenin | |
corynanthine | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
prunin protein, prunus | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative | antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite |
podocarpic acid | [no description available] | medium | 1 | 0 | abietane diterpenoid | |
harmol hydrochloride | [no description available] | medium | 1 | 0 | | |
5-Methoxyflavone | [no description available] | medium | 1 | 0 | ether; flavonoids | |
10-hydroxycamptothecin | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | |
corydaline | [no description available] | medium | 1 | 0 | isoquinoline alkaloid; isoquinolines | |
demissidine | [no description available] | medium | 1 | 0 | alkaloid; organic heteropolycyclic compound; steroid | |
cinchonidine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
propidium iodide | [no description available] | medium | 1 | 0 | organic iodide salt | |
tryptoline | [no description available] | medium | 1 | 0 | beta-carbolines | |
deguelin | [no description available] | medium | 1 | 0 | aromatic ether; diether; organic heteropentacyclic compound; rotenones | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite |
catechin | [no description available] | medium | 1 | 0 | hydrate | geroprotector |
daidzin | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative | plant metabolite |
cafestol | [no description available] | medium | 1 | 0 | diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite |
parthenolide | [no description available] | medium | 1 | 0 | germacranolide | |
homoorientin | [no description available] | medium | 1 | 0 | flavone C-glycoside; tetrahydroxyflavone | antineoplastic agent; radical scavenger |
asiatic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; pentacyclic triterpenoid; triol | angiogenesis modulating agent; metabolite |
angustmycin a | [no description available] | medium | 1 | 0 | 6-aminopurines | |
razadyne | [no description available] | medium | 1 | 0 | | |
phytosphingosine | [no description available] | medium | 1 | 0 | amino alcohol; sphingoid; triol | mouse metabolite; Saccharomyces cerevisiae metabolite |
tetradecanoylphorbol acetate | [no description available] | medium | 1 | 0 | | |
celastrol | [no description available] | medium | 2 | 0 | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite |
4'-demethylepipodophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole; organic heterotetracyclic compound; phenols | antineoplastic agent |
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 1 | 0 | leucine derivative | |
e 64 | [no description available] | medium | 1 | 0 | dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion | antimalarial; antiparasitic agent; protease inhibitor |
sinensetin | [no description available] | medium | 1 | 0 | pentamethoxyflavone | plant metabolite |
harmalol hydrochloride | [no description available] | medium | 1 | 0 | | |
hyoscyamine | [no description available] | medium | 1 | 0 | tropane alkaloid | |
schizandrin a | [no description available] | medium | 1 | 0 | | |
schizandrin b | [no description available] | medium | 1 | 0 | aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin | anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite |
cryptotanshinone | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
isosakuranetin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone | plant metabolite |
isovitexin | [no description available] | medium | 1 | 0 | C-glycosyl compound; trihydroxyflavone | EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
sclareol | [no description available] | medium | 1 | 0 | labdane diterpenoid | antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite |
tanshinone ii a | [no description available] | medium | 1 | 0 | abietane diterpenoid | |
leucodin | [no description available] | medium | 1 | 0 | sesquiterpene lactone | |
limonin | [no description available] | medium | 1 | 0 | epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound | inhibitor; metabolite; volatile oil component |
maduramicin | [no description available] | medium | 1 | 0 | | |
chelidonine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid | |
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 |
santonin | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; santonin | plant metabolite |
vincristine sulfate | [no description available] | medium | 1 | 0 | organic sulfate salt | antineoplastic agent; geroprotector |
anisomycin | [no description available] | medium | 1 | 0 | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
acetylstrophanthidin | [no description available] | medium | 1 | 0 | acetate ester | anti-arrhythmia drug |
Harringtonine | [no description available] | medium | 1 | 0 | alkaloid | |
acivicin | [no description available] | medium | 1 | 0 | isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound | antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite |
ketopinic acid | [no description available] | medium | 1 | 0 | | |
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 |
gitoxigenin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid | |
graveoline | [no description available] | medium | 1 | 0 | quinolines | |
4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en | [no description available] | medium | 1 | 0 | | |
naringenin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
ouabain | [no description available] | medium | 1 | 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 |
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 |
taxifolin | [no description available] | medium | 1 | 0 | taxifolin | metabolite |
mimosine | [no description available] | medium | 1 | 0 | 4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid | EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
eriodictyol | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; tetrahydroxyflavanone | |
arbutin | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
quinidine | [no description available] | medium | 1 | 0 | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker |
conessine | [no description available] | medium | 1 | 0 | steroid alkaloid; tertiary amino compound | antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite |
griseofulvin | [no description available] | medium | 1 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
digitoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
hyperforin | [no description available] | medium | 2 | 0 | | |
deltaline | [no description available] | medium | 1 | 0 | acetate ester; cyclic acetal; diterpene alkaloid; organic polycyclic compound; tertiary alcohol; tertiary amino compound | |
ingenol | [no description available] | medium | 1 | 0 | cyclic terpene ketone; tetracyclic diterpenoid | |
picrotin | [no description available] | medium | 1 | 0 | diol; epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol | plant metabolite |
picrotoxinin | [no description available] | medium | 1 | 0 | epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol | GABA antagonist; plant metabolite; serotonergic antagonist |
naringin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite |
isonaringin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside | anti-inflammatory agent; antioxidant; metabolite |
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 |
gingerol | [no description available] | medium | 1 | 0 | beta-hydroxy ketone; guaiacols | antineoplastic agent; plant metabolite |
securinine | [no description available] | medium | 1 | 0 | indolizines | |
Dubinidine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
cyclopamine | [no description available] | medium | 1 | 0 | piperidines | glioma-associated oncogene inhibitor |
doxorubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
vinpocetine | [no description available] | medium | 1 | 0 | alkaloid | geroprotector |
dihydroergocristine monomesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | alpha-adrenergic antagonist; geroprotector; vasodilator agent |
tretinoin | [no description available] | medium | 1 | 0 | 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 |
resveratrol | [no description available] | medium | 3 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
ferulic acid | [no description available] | medium | 1 | 0 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
thapsigargin | [no description available] | medium | 1 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
mycophenolic acid | [no description available] | medium | 1 | 0 | 2-benzofurans; gamma-lactone; monocarboxylic acid; phenols | anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic |
alitretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
L-cycloserine | [no description available] | medium | 1 | 0 | 4-amino-1,2-oxazolidin-3-one | anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor |
12-deoxyphorbol 13-acetate | [no description available] | medium | 1 | 0 | phorbol ester | metabolite |
dactinomycin | [no description available] | medium | 1 | 0 | actinomycin | mutagen |
aphidicolin | [no description available] | medium | 1 | 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 |
(+)-usnic acid | [no description available] | medium | 1 | 0 | usnic acid | |
beta, beta-dimethylacrylshikonin, (+)-isomer | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | |
shikonin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | |
rhapontin | [no description available] | medium | 1 | 0 | rhaponticin | angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 2.3.1.85 (fatty acid synthase) inhibitor; hypoglycemic agent; neuroprotective agent; plant metabolite |
piperine | [no description available] | medium | 2 | 0 | benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide | food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite |
rauwolscine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
amygdalin | [no description available] | medium | 1 | 0 | amygdalin | antineoplastic agent; apoptosis inducer; plant metabolite |
hydrastine, (r-(r*,s*))-isomer | [no description available] | medium | 1 | 0 | isoquinolines | |
vasicine | [no description available] | medium | 1 | 0 | | |
3,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 2 | 0 | catechols; polyphenol; resorcinols; stilbenol | antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor |
caffeic acid | [no description available] | medium | 1 | 0 | caffeic acid | geroprotector; mouse metabolite |
cotinine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
heliotrine | [no description available] | medium | 1 | 0 | pyrrolizines | |
sclareolide | [no description available] | medium | 1 | 0 | naphthofuran | |
hypocrellin b | [no description available] | medium | 1 | 0 | | |
capsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
aurapten | [no description available] | medium | 1 | 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 |
chlorogenic acid | [no description available] | medium | 1 | 0 | cinnamate ester; tannin | food component; plant metabolite |
fumonisin b2 | [no description available] | medium | 1 | 0 | diester; diol; fumonisin; primary amino compound | Aspergillus metabolite; carcinogenic agent |
lincomycin | [no description available] | medium | 1 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
valinomycin | [no description available] | medium | 1 | 0 | cyclodepsipeptide; macrocycle | antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore |
orlistat | [no description available] | medium | 2 | 0 | beta-lactone; carboxylic ester; formamides; L-leucine derivative | anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
12-deoxyphorbolphenylacetate-20-acetate | [no description available] | medium | 1 | 0 | | |
brassinin | [no description available] | medium | 1 | 0 | dithiocarbamic ester; indole phytoalexin | |
chaetomellic acid a | [no description available] | medium | 1 | 0 | | |
hirsutine | [no description available] | medium | 1 | 0 | | |
3-deoxyvasicine, hydrochloride | [no description available] | medium | 1 | 0 | | |
emetine dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor |
salinomycin | [no description available] | medium | 1 | 0 | polyketide; spiroketal | animal growth promotant; potassium ionophore |
silybin | [no description available] | medium | 1 | 0 | | |
5,6-dehydrokawain | [no description available] | medium | 1 | 0 | 2-pyranones; aromatic ether | |
9,10-dihydrolysergol | [no description available] | medium | 1 | 0 | | |
geranylgeranic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; diterpenoid; methyl-branched fatty acid; trienoic fatty acid | |
quercetin | [no description available] | medium | 2 | 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 |
dinoprostone | [no description available] | medium | 1 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
dinoprost | [no description available] | medium | 1 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
biochanin a | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
formononetin | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | phytoestrogen; plant metabolite |
prostaglandin b1 | [no description available] | medium | 1 | 0 | prostaglandins B | human metabolite |
sterigmatocystin | [no description available] | medium | 1 | 0 | sterigmatocystins | metabolite |
vitexin | [no description available] | medium | 1 | 0 | C-glycosyl compound; trihydroxyflavone | antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor |
acacetin | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | anticonvulsant; plant metabolite |
apigenin | [no description available] | medium | 1 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
luteolin | [no description available] | medium | 1 | 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 |
quercitrin | [no description available] | medium | 1 | 0 | alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
scopoletin | [no description available] | medium | 1 | 0 | hydroxycoumarin | plant growth regulator; plant metabolite |
hymecromone | [no description available] | medium | 1 | 0 | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
alprostadil | [no description available] | medium | 1 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
quercetin 3-o-glucopyranoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite |
rutin | [no description available] | medium | 1 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
kaempferol | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite |
senecionine | [no description available] | medium | 1 | 0 | lactone; pyrrolizidine alkaloid; tertiary alcohol | plant metabolite |
genistein | [no description available] | medium | 1 | 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 |
amphotericin b | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
butein | [no description available] | medium | 1 | 0 | chalcones; polyphenol | antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor |
sulfuretin | [no description available] | medium | 1 | 0 | 1-benzofurans | |
genistin | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside | |
chartreusin | [no description available] | medium | 1 | 0 | benzochromenone; glycoside | |
methysticin | [no description available] | medium | 1 | 0 | 2-pyranones; aromatic ether | |
yangonin | [no description available] | medium | 1 | 0 | 2-pyranones; aromatic ether | |
zearalenone | [no description available] | medium | 1 | 0 | macrolide; resorcinols | fungal metabolite; mycoestrogen |
baicalein | [no description available] | medium | 1 | 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 |
chrysin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
datiscetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; tetrahydroxyflavone | |
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 |
diosmin | [no description available] | medium | 1 | 0 | dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside | anti-inflammatory agent; antioxidant |
fisetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite |
galangin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; trihydroxyflavone | antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite |
3-methylquercetin | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite |
morin | [no description available] | medium | 1 | 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 |
myricetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite |
rhamnetin | [no description available] | medium | 1 | 0 | monomethoxyflavone; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; metabolite |
robinetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | plant metabolite |
tamarixetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | antioxidant; metabolite |
wogonin | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite |
coumestrol | [no description available] | medium | 1 | 0 | coumestans; delta-lactone; polyphenol | anti-inflammatory agent; antioxidant; plant metabolite |
daidzein | [no description available] | medium | 1 | 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 |
caffeic acid phenethyl ester | [no description available] | medium | 2 | 0 | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
rosmarinic acid | [no description available] | medium | 1 | 0 | rosmarinic acid | geroprotector; plant metabolite |
wedelolactone | [no description available] | medium | 1 | 0 | aromatic ether; coumestans; delta-lactone; polyphenol | antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; 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 | 2 | 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-hydroxyflavone | [no description available] | medium | 1 | 0 | hydroxyflavonoid | |
prostaglandin a1 | [no description available] | medium | 1 | 0 | prostaglandins A | |
cerulenin | [no description available] | medium | 1 | 0 | epoxide; monocarboxylic acid amide | antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor |
rhoifolin | [no description available] | medium | 1 | 0 | dihydroxyflavone; glycosyloxyflavone; neohesperidoside | metabolite |
vitexin rhamnoside | [no description available] | medium | 1 | 0 | C-glycosyl compound; disaccharide derivative; trihydroxyflavone | plant metabolite |
domoic acid | [no description available] | medium | 1 | 0 | L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid | algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin |
isotretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
cyclosporine | [no description available] | medium | 1 | 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 |
natamycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic | antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug |
sirolimus | [no description available] | medium | 1 | 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 |
brefeldin a | [no description available] | medium | 1 | 0 | macrolide antibiotic | Penicillium metabolite |
cytochalasin b | [no description available] | medium | 1 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
vinorelbine | [no description available] | medium | 1 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent |
bisdemethoxycurcumin | [no description available] | medium | 1 | 0 | beta-diketone; diarylheptanoid; enone; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite |
andrographolide | [no description available] | medium | 1 | 0 | carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol | anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite |
isorhamnetin 3-o-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone | metabolite |
6,7-dihydroxyflavone | [no description available] | medium | 1 | 0 | | |
flavokawain a | [no description available] | medium | 1 | 0 | chalcones | |
flavokawain b | [no description available] | medium | 1 | 0 | chalcones; dimethoxybenzene; phenols | anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite |
kavain | [no description available] | medium | 1 | 0 | racemate | glycine receptor antagonist |
abscisic acid, (+,-)-isomer | [no description available] | medium | 1 | 0 | abscisic acids | abscisic acid receptor agonist |
veratrine | [no description available] | medium | 1 | 0 | alkaloid | |
vinblastine sulfate | [no description available] | medium | 1 | 0 | | |
catharanthine | [no description available] | medium | 1 | 0 | alkaloid ester; bridged compound; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | |
cytochalasin e | [no description available] | medium | 1 | 0 | cytochalasan alkaloid | metabolite |
cytochalasin d | [no description available] | medium | 1 | 0 | | |
sinomenine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
ecdysterone | [no description available] | medium | 1 | 0 | 14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid | animal metabolite; plant metabolite |
bleomycin | [no description available] | medium | 1 | 0 | bleomycin | antineoplastic agent; metabolite |
bakuchiol | [no description available] | medium | 1 | 0 | | |
zerumbone | [no description available] | medium | 1 | 0 | cyclic ketone; sesquiterpenoid | anti-inflammatory agent; glioma-associated oncogene inhibitor; plant metabolite |
solanesol | [no description available] | medium | 1 | 0 | nonaprenol; primary alcohol | plant metabolite |
(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
n-caproylsphingosine | [no description available] | medium | 1 | 0 | N-acylsphingosine | |
monorden | [no description available] | medium | 1 | 0 | cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols | antifungal agent; metabolite; tyrosine kinase inhibitor |
ginkgolide b | [no description available] | medium | 1 | 0 | | |
homatropine hydrobromide, (endo-(+-)-isomer) | [no description available] | medium | 1 | 0 | | |
hydrocotarnine hydrobromide | [no description available] | medium | 1 | 0 | | |
salsolinol hydrobromide | [no description available] | medium | 1 | 0 | | |
lasalocid sodium | [no description available] | medium | 1 | 0 | benzoates; organic sodium salt | coccidiostat; ionophore |
sclerotiorin | [no description available] | medium | 1 | 0 | azaphilone | |
himbacine | [no description available] | medium | 1 | 0 | gamma-lactone; organic heterotricyclic compound; piperidine alkaloid | muscarinic antagonist |
ebelactone b | [no description available] | medium | 1 | 0 | | |
3-o-methylbutein | [no description available] | medium | 1 | 0 | chalcones | |
thermozymocidin | [no description available] | medium | 1 | 0 | alpha-amino fatty acid; hydroxy monocarboxylic acid; non-proteinogenic alpha-amino acid; sphingoid | antifungal agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor; fungal metabolite; immunosuppressive agent |
marein | [no description available] | medium | 1 | 0 | flavonoids; glycoside | |
hydroxyachillin | [no description available] | medium | 1 | 0 | gamma-lactone | |
butylscopolammonium bromide | [no description available] | medium | 1 | 0 | | |
fumagillin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide | angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor |
artesunate | [no description available] | medium | 1 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
anisodamine | [no description available] | medium | 1 | 0 | | |
bufalin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid; 3beta-hydroxy steroid | animal metabolite; anti-inflammatory agent; antineoplastic agent; cardiotonic drug |
alpha-solanine | [no description available] | medium | 1 | 0 | glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative | antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite |
apigenin-7-o-rutinoside | [no description available] | medium | 1 | 0 | | |
gambogic acid | [no description available] | medium | 1 | 0 | pyranoxanthones | metabolite |
bn 52020 | [no description available] | medium | 1 | 0 | | |
carmine | [no description available] | medium | 1 | 0 | C-glycosyl compound; monocarboxylic acid; tetrahydroxyanthraquinone | animal metabolite; histological dye |
bavachinin | [no description available] | medium | 1 | 0 | flavanones | |
grayanotoxin iii | [no description available] | medium | 1 | 0 | | |
Dihydrotanshinone I | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
calcimycin | [no description available] | medium | 1 | 0 | benzoxazole | |
cinobufagin | [no description available] | medium | 1 | 0 | steroid lactone | |
atropine sulfate | [no description available] | medium | 1 | 0 | | |
cannogenin thevetoside | [no description available] | medium | 1 | 0 | cardenolide glycoside | |
eriodictyol 7-O-beta-D-glucopyranoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone | plant metabolite; radical scavenger |
hypocrellin a | [no description available] | medium | 1 | 0 | | |
dihydrorobinetin | [no description available] | medium | 1 | 0 | | |
monensin | [no description available] | medium | 1 | 0 | | |
minocycline | [no description available] | medium | 1 | 0 | | |
dicumarol | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist |
citrinin | [no description available] | medium | 1 | 0 | | |
vulpinic acid | [no description available] | medium | 1 | 0 | butenolide | |
ajmaline | [no description available] | medium | 1 | 0 | | |
rifampin | [no description available] | medium | 2 | 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 |
alpha-cyclopiazonic acid | [no description available] | medium | 1 | 0 | alpha-cyclopiazonic acids | |
5-o-methylembelin | [no description available] | medium | 2 | 0 | enol ether; monohydroxy-1,4-benzoquinones | antileishmanial agent; antineoplastic agent; hepatitis C protease inhibitor; metabolite |
pyrazinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
acetaminophen | [no description available] | medium | 1 | 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 |
albendazole | [no description available] | medium | 1 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
anastrozole | [no description available] | medium | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
aspirin | [no description available] | medium | 1 | 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 |
carbamazepine | [no description available] | medium | 1 | 0 | dibenzoazepine; ureas | analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic |
cetirizine | [no description available] | medium | 1 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
chlorzoxazone | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound | muscle relaxant; sedative |
ciprofloxacin | [no description available] | medium | 2 | 0 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
clotrimazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
ibuprofen | [no description available] | medium | 1 | 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 |
indomethacin | [no description available] | medium | 1 | 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 |
isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent; drug allergen |
loratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nimodipine | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent |
omeprazole | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
acetylcysteine | [no description available] | medium | 2 | 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 |
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 |
simvastatin | [no description available] | medium | 1 | 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 |
valsartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
telmisartan | [no description available] | medium | 1 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
aceclofenac | [no description available] | medium | 1 | 0 | amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
clarithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
docetaxel | [no description available] | medium | 1 | 0 | hydrate; secondary alpha-hydroxy ketone | antineoplastic agent |
fluticasone propionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester | adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug |
tamoxifen | [no description available] | medium | 1 | 0 | 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 |
diclofenac sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
pulmicort | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; bronchodilator agent; drug allergen |
gardenia yellow | [no description available] | medium | 1 | 0 | diester; disaccharide derivative; diterpenoid | antioxidant; food colouring; histological dye; plant metabolite |
mangiferin | [no description available] | medium | 1 | 0 | C-glycosyl compound; xanthones | anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite |
terbinafine hydrochloride | [no description available] | medium | 1 | 0 | allylamine antifungal drug; hydrochloride | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor |
roxithromycin | [no description available] | medium | 1 | 0 | roxithromycin | environmental contaminant; xenobiotic |
cambogin | [no description available] | medium | 1 | 0 | | |
ascorbic acid | [no description available] | medium | 2 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
mobic | [no description available] | medium | 1 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
colistin sulfate | [no description available] | medium | 1 | 0 | | |
aplysinopsin | [no description available] | medium | 1 | 0 | | |
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 |
l 663536 | [no description available] | medium | 2 | 0 | aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes | antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist |
anacardic acid | [no description available] | medium | 1 | 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 |
curcumin | [no description available] | medium | 5 | 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 |
1,2-bis(isothiazol-5-yl)disulfane | [no description available] | medium | 1 | 0 | | |
oxacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial agent; antibacterial drug |
vancomycin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
mupirocin | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol | antibacterial drug; bacterial metabolite; protein synthesis inhibitor |
3-methylcholanthrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
decanoic acid | [no description available] | medium | 3 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component |
1,1-bis(3'-indolyl)-1-(4-hydroxyphenyl)methane | [no description available] | medium | 1 | 0 | | |
tug-891 | [no description available] | medium | 1 | 0 | | |
4-[4-[[(3,4-dimethylphenyl)-oxomethyl]amino]phenoxy]phthalic acid | [no description available] | medium | 1 | 0 | benzamides | |
berberine | [no description available] | medium | 1 | 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 |
salvin | [no description available] | medium | 2 | 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 |
atranorin | [no description available] | medium | 1 | 0 | carbonyl compound | |
boswellic acid | [no description available] | medium | 1 | 0 | triterpenoid | |
perlatolinic acid | [no description available] | medium | 1 | 0 | carbonyl compound | |
carnosol | [no description available] | medium | 1 | 0 | diterpenoid | |
olivetoric acid | [no description available] | medium | 1 | 0 | carbonyl compound | |
guttiferone e | [no description available] | medium | 1 | 0 | | |
11-keto-boswellic acid | [no description available] | medium | 1 | 0 | | |
acetyl-11-ketoboswellic acid | [no description available] | medium | 1 | 0 | triterpenoid | |
3-o-acetyl-beta-boswellic acid | [no description available] | medium | 1 | 0 | | |
arzanol | [no description available] | medium | 1 | 0 | | |
octanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human metabolite |
alpha-hydroxymyristic acid | [no description available] | medium | 1 | 0 | 2-hydroxy fatty acid; long-chain fatty acid | |
lauric acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antibacterial agent; plant metabolite |
undecanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antifungal agent; human metabolite |
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 |
tridecanoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
beta-hydroxymyristic acid | [no description available] | medium | 1 | 0 | 3-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; long-chain fatty acid | bacterial metabolite; human metabolite |
myrmicacin | [no description available] | medium | 1 | 0 | 3-hydroxy fatty acid; medium-chain fatty acid | antimitotic; Escherichia coli metabolite |
12-hydroxydodecanoic acid | [no description available] | medium | 1 | 0 | omega-hydroxy-medium-chain fatty acid | human metabolite |
3-hydroxydodecanoic acid | [no description available] | medium | 1 | 0 | 3-hydroxy fatty acid; medium-chain fatty acid | |
lawsone | [no description available] | medium | 1 | 0 | | |
n-phenylmaleimide | [no description available] | medium | 1 | 0 | | |
2-methoxy-1,4-naphthoquinone | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones; enol ether | antimicrobial agent; metabolite; plant metabolite |
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine | [no description available] | medium | 1 | 0 | N-substituted diamine; pyridines; tertiary amino compound | apoptosis inducer; chelator; copper chelator |
edetic acid | [no description available] | medium | 1 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
captopril | [no description available] | medium | 1 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
baicalin | [no description available] | medium | 1 | 0 | dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative | antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug |
bromopyruvate | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid; organobromine compound; oxo carboxylic acid | alkylating agent; antineoplastic agent |
1,4,7-triazacyclononane-n,n',n''-triacetic acid | [no description available] | medium | 1 | 0 | | |
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 |
acarbose | [no description available] | medium | 1 | 0 | tetrasaccharide derivative | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent |
chitosan | [no description available] | medium | 3 | 0 | | |
axitinib | [no description available] | medium | 1 | 0 | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
interleukin-8 | [no description available] | medium | 1 | 0 | | |
gallic acid | [no description available] | medium | 1 | 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 |
dexrazoxane | [no description available] | medium | 1 | 0 | razoxane | antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent |
masoprocol | [no description available] | medium | 1 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
meropenem | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide | antibacterial agent; antibacterial drug; drug allergen |
candesartan cilexetil | [no description available] | medium | 1 | 0 | biphenyls | |
nitrocefin | [no description available] | medium | 1 | 0 | | |
carbapenems | [no description available] | medium | 1 | 0 | | |
silver | [no description available] | medium | 1 | 0 | copper group element atom; elemental silver | Escherichia coli metabolite |
thioacetamide | [no description available] | medium | 1 | 0 | thiocarboxamide | hepatotoxic agent |
furan | [no description available] | medium | 1 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
casein kinase ii | [no description available] | medium | 1 | 0 | | |
triazoles | [no description available] | medium | 2 | 0 | 1,2,3-triazole | |
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | [no description available] | medium | 1 | 0 | methylpyridines; phenylpyridine; tetrahydropyridine | neurotoxin |
malondialdehyde | [no description available] | medium | 3 | 0 | dialdehyde | biomarker |
1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 2 | 0 | | |
hyaluronoglucosaminidase | [no description available] | medium | 1 | 0 | | |
vasoactive intestinal peptide | [no description available] | medium | 1 | 0 | | |
phenylethyl alcohol | [no description available] | medium | 1 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
stilbenes | [no description available] | medium | 2 | 0 | stilbene | |
methylprednisolone | [no description available] | medium | 1 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
pentylenetetrazole | [no description available] | medium | 3 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
singlet oxygen | [no description available] | medium | 1 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
carboplatin | [no description available] | medium | 1 | 0 | | |
deoxycytidine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
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 |
gold | [no description available] | medium | 1 | 0 | copper group element atom; elemental gold | |
abt-199 | [no description available] | medium | 1 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
apomorphine | [no description available] | medium | 1 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
ketoconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 2 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
terconazole | [no description available] | medium | 1 | 0 | 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 4 | 0 | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
uracil | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
phenoxodiol | [no description available] | medium | 1 | 0 | | |
vorinostat | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
mannans | [no description available] | medium | 1 | 0 | | |
angiotensin ii | [no description available] | medium | 1 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
1,4-dihydropyridine | [no description available] | medium | 1 | 0 | | |
dihydropyridines | [no description available] | medium | 1 | 0 | | |
fluorouracil | [no description available] | medium | 1 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
transforming growth factor beta | [no description available] | medium | 1 | 0 | | |
pseudolaric acid b | [no description available] | medium | 1 | 0 | | |
cytochrome c-t | [no description available] | medium | 3 | 0 | | |
fluorescein-5-isothiocyanate | [no description available] | medium | 1 | 0 | fluorescein isothiocyanate | |
lissamine rhodamine b | [no description available] | medium | 1 | 0 | | |
chiniofon | [no description available] | medium | 1 | 0 | | |
uc-112 | [no description available] | medium | 1 | 0 | hydroxyquinoline | |
isoproterenol | [no description available] | medium | 2 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
iridium | [no description available] | medium | 1 | 0 | cobalt group element atom; platinum group metal atom | |
rhodium | [no description available] | medium | 1 | 0 | cobalt group element atom | |
folic acid | [no description available] | medium | 1 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
mocetinostat | [no description available] | medium | 4 | 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 |
nitrites | [no description available] | medium | 2 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
nitrates | [no description available] | medium | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
acetic acid | [no description available] | medium | 4 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
diacetyldichlorofluorescein | [no description available] | medium | 1 | 0 | | |
erythrosine | [no description available] | medium | 1 | 0 | | |
acid phosphatase | [no description available] | medium | 1 | 0 | | |
sb 203580 | [no description available] | medium | 1 | 0 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent |
staurosporine | [no description available] | medium | 1 | 0 | ammonium ion derivative | |
fluo-3 | [no description available] | medium | 1 | 0 | xanthene dye | fluorochrome |
xanthenes | [no description available] | medium | 1 | 0 | xanthene | |
3-nitropropionic acid | [no description available] | medium | 1 | 0 | C-nitro compound | antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin |
proline | [no description available] | medium | 1 | 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 |
cetyl palmitate | [no description available] | medium | 1 | 0 | hexadecanoate ester | metabolite |
linoleic acid | [no description available] | medium | 1 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
arachidonic acid | [no description available] | medium | 1 | 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 |
propidium | [no description available] | medium | 1 | 0 | phenanthridines; quaternary ammonium ion | fluorochrome; intercalator |
bicalutamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
carbon tetrachloride | [no description available] | medium | 2 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
cyclic gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
citrulline | [no description available] | medium | 1 | 0 | amino acid zwitterion; citrulline | Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite |
quinazolines | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
gw 583340 | [no description available] | medium | 1 | 0 | | |
phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diethylnitrosamine | [no description available] | medium | 3 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
sulfasalazine | [no description available] | medium | 1 | 0 | | |
ag-490 | [no description available] | medium | 1 | 0 | catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide | anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid | [no description available] | medium | 1 | 0 | | |
glyburide | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-sulfonylurea | anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent |
cyclin d1 | [no description available] | medium | 2 | 0 | | |
phenobarbital | [no description available] | medium | 2 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
hydroxyl radical | [no description available] | medium | 1 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
2,2'-azobis(2-amidinopropane) | [no description available] | medium | 1 | 0 | monoazo compound | |
hydrazine | [no description available] | medium | 1 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
glycogen | [no description available] | medium | 2 | 0 | | |
phenyl acetate | [no description available] | medium | 1 | 0 | benzenes; phenyl acetates | |
naloxone | [no description available] | medium | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
thymidine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
centchroman | [no description available] | medium | 1 | 0 | | |
enclomiphene | [no description available] | medium | 1 | 0 | | |
alanine | [no description available] | medium | 1 | 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 |
leucine | [no description available] | medium | 1 | 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 |
maesanin | [no description available] | medium | 1 | 0 | | |
juglone | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | geroprotector; herbicide; reactive oxygen species generator |
naphthoquinones | [no description available] | medium | 1 | 0 | | |
1-triacontanol | [no description available] | medium | 1 | 0 | fatty alcohol 30:0; ultra-long-chain primary fatty alcohol | |
D-fructopyranose | [no description available] | medium | 1 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
telaprevir | [no description available] | low | 0 | 0 | cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide | [no description available] | low | 0 | 0 | tripeptide; ureas | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
narlaprevir | [no description available] | low | 0 | 0 | azabicyclohexane; cyclopropanes; pyrrolidinecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide; ureas | anticoronaviral agent; antiviral drug; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; hepatitis C protease inhibitor |
mk-7009 | [no description available] | low | 0 | 0 | azamacrocycle; carbamate ester; cyclopropanes; N-sulfonylcarboxamide; pyrrolidinecarboxamide | antiviral drug; hepatitis C protease inhibitor |
grazoprevir | [no description available] | low | 0 | 0 | aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative | antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent |
sofosbuvir | [no description available] | low | 0 | 0 | isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester | antiviral drug; hepatitis C protease inhibitor; prodrug |
ledipasvir | [no description available] | low | 0 | 0 | azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound | antiviral drug; hepatitis C protease inhibitor |
citric acid, anhydrous | [no description available] | low | 0 | 0 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
fosmidomycin | [no description available] | low | 0 | 0 | hydroxamic acid; phosphonic acids | antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor |
chlorocresol | [no description available] | low | 0 | 0 | hydroxytoluene; monochlorobenzenes | antimicrobial agent; disinfectant; ryanodine receptor agonist |
bromodiphenhydramine | [no description available] | low | 0 | 0 | organobromine compound; tertiary amino compound | antimicrobial agent; H1-receptor antagonist; muscarinic antagonist |
clioquinol | [no description available] | low | 0 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
lomefloxacin | [no description available] | low | 0 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antimicrobial agent; antitubercular agent; photosensitizing agent |
metronidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
oxolinic acid | [no description available] | low | 0 | 0 | aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic | antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor |
oxyphenbutazone | [no description available] | low | 0 | 0 | phenols; pyrazolidines | antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite |
sulfadiazine | [no description available] | low | 0 | 0 | pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
sulfacetamide | [no description available] | low | 0 | 0 | N-sulfonylcarboxamide; substituted aniline | antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfadimethoxine | [no description available] | low | 0 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
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 |
sulfamethizole | [no description available] | low | 0 | 0 | sulfonamide antibiotic; sulfonamide; thiadiazoles | antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfamethoxazole | [no description available] | low | 0 | 0 | isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic |
gatifloxacin | [no description available] | low | 0 | 0 | N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
chloramphenicol | [no description available] | low | 0 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
allyl isothiocyanate | [no description available] | low | 0 | 0 | alkenyl isothiocyanate; isothiocyanate | antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite |
cephalothin | [no description available] | low | 0 | 0 | azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes | antibacterial drug; antimicrobial agent |
methylene blue | [no description available] | low | 0 | 0 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
linalool | [no description available] | low | 0 | 0 | monoterpenoid; tertiary alcohol | antimicrobial agent; fragrance; plant metabolite; volatile oil component |
propylparaben | [no description available] | low | 0 | 0 | benzoate ester; paraben; phenols | antifungal agent; antimicrobial agent |
alpha phellandrene | [no description available] | low | 0 | 0 | cyclohexadiene; phellandrene | antimicrobial agent; plant metabolite; volatile oil component |
triclocarban | [no description available] | low | 0 | 0 | dichlorobenzene; monochlorobenzenes; phenylureas | antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic |
liriodenine | [no description available] | low | 0 | 0 | alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid | antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
carvacrol | [no description available] | low | 0 | 0 | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
hadacidin | [no description available] | low | 0 | 0 | aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid | antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent |
sulfamoxole | [no description available] | low | 0 | 0 | oxazole; sulfonamide antibiotic; sulfonamide | antimicrobial agent; drug allergen |
spectinomycin | [no description available] | low | 0 | 0 | cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
pentadecanal | [no description available] | low | 0 | 0 | 2,3-saturated fatty aldehyde; long-chain fatty aldehyde | antimicrobial agent; plant metabolite; volatile oil component |
1-octen-3-ol | [no description available] | low | 0 | 0 | alkenyl alcohol; medium-chain fatty alcohol | antimicrobial agent; fungal metabolite; insect attractant; volatile oil component |
cephaloglycin | [no description available] | low | 0 | 0 | beta-lactam antibiotic allergen; cephalosporin | antimicrobial agent |
nitroxoline | [no description available] | low | 0 | 0 | C-nitro compound; monohydroxyquinoline | antifungal agent; antiinfective agent; antimicrobial agent; renal agent |
mitomycin a | [no description available] | low | 0 | 0 | ether; mitomycin | alkylating agent; antimicrobial agent; antineoplastic agent; toxin |
thiamphenicol | [no description available] | low | 0 | 0 | monocarboxylic acid amide; sulfone | antimicrobial agent; immunosuppressive agent |
streptozocin | [no description available] | low | 0 | 0 | N-acylglucosamine; N-nitrosoureas | antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite |
ribostamycin | [no description available] | low | 0 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | antibacterial drug; antimicrobial agent; metabolite |
5-chloro-2-methyl-4-isothiazolin-3-one | [no description available] | low | 0 | 0 | 1,2-thiazoles; organochlorine compound | antimicrobial agent; environmental contaminant; xenobiotic |
nigericin | [no description available] | low | 0 | 0 | polycyclic ether | antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore |
tobramycin | [no description available] | low | 0 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
amikacin | [no description available] | low | 0 | 0 | alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide | antibacterial drug; antimicrobial agent; nephrotoxin |
imidazolidinyl urea | [no description available] | low | 0 | 0 | ureas | antimicrobial agent |
2-methyl-4-isothiazolin-3-one | [no description available] | low | 0 | 0 | 1,2-thiazoles | antifouling biocide; antifungal agent; antimicrobial agent |
epirubicin | [no description available] | low | 0 | 0 | aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
spectinomycin dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antibacterial drug; antimicrobial agent |
propamidine | [no description available] | low | 0 | 0 | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
hexamidine | [no description available] | low | 0 | 0 | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
sinefungin | [no description available] | low | 0 | 0 | adenosines; non-proteinogenic alpha-amino acid | antifungal agent; antimicrobial agent |
propamidine isethionate | [no description available] | low | 0 | 0 | guanidinium salt; organosulfonate salt | antimicrobial agent; antiseptic drug |
lupulon | [no description available] | low | 0 | 0 | beta-bitter acid | angiogenesis inhibitor; antimicrobial agent; antineoplastic agent; apoptosis inducer |
lomefloxacin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antimicrobial agent; antitubercular agent; photosensitizing agent |
arbekacin | [no description available] | low | 0 | 0 | aminoglycoside; kanamycins | antibacterial agent; antibacterial drug; antimicrobial agent; protein synthesis inhibitor |
enrofloxacin | [no description available] | low | 0 | 0 | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
vexibinol | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone | antimalarial; antimicrobial agent; antioxidant; plant metabolite |
furanomycin | [no description available] | low | 0 | 0 | dihydrofuran; non-proteinogenic L-alpha-amino acid | antibacterial agent; antimicrobial agent; bacterial metabolite |
benzoylmetronidazole | [no description available] | low | 0 | 0 | benzoate ester | antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; prodrug |
tosufloxacin, 4-toluene sulfonate | [no description available] | low | 0 | 0 | racemate | antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; hepatotoxic agent; topoisomerase IV inhibitor |
1-phenazinecarboxylic acid | [no description available] | low | 0 | 0 | aromatic carboxylic acid; monocarboxylic acid; phenazines | antifungal agent; antimicrobial agent; bacterial metabolite |
florfenicol | [no description available] | low | 0 | 0 | organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone | antimicrobial agent |
cubebin | [no description available] | low | 0 | 0 | benzodioxoles; cyclic acetal; lactol; lignan; secondary alcohol | analgesic; anti-inflammatory agent; antimicrobial agent; histamine antagonist; plant metabolite; trypanocidal drug |
olivomycin a | [no description available] | low | 0 | 0 | olivomycin; secondary alpha-hydroxy ketone | antimicrobial agent |
tazobactam | [no description available] | low | 0 | 0 | penicillanic acids; triazoles | antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
ay 25545 | [no description available] | low | 0 | 0 | acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine | antimicrobial agent; antineoplastic agent; bacterial metabolite |
3,3'-neotrehalosadiamine | [no description available] | low | 0 | 0 | amino disaccharide; glycosyl glycoside derivative | antimicrobial agent; metabolite |
aclacinomycin | [no description available] | low | 0 | 0 | aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion | antimicrobial agent; antineoplastic agent; metabolite |
i-677 | [no description available] | low | 0 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid | antimetabolite; antimicrobial agent; antineoplastic agent; metabolite |
pannarin | [no description available] | low | 0 | 0 | aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols | antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite |
enniatin b | [no description available] | low | 0 | 0 | enniatin | antimicrobial agent |
bisdechlorogeodin | [no description available] | low | 0 | 0 | 1-benzofurans; cyclohexadiene; methyl ester; oxaspiro compound | antimicrobial agent |
ml 236a | [no description available] | low | 0 | 0 | 2-pyranones; carbobicyclic compound; hexahydronaphthalenes; polyketide; secondary alcohol | antiatherosclerotic agent; anticholesteremic drug; antilipemic drug; antimicrobial agent; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; fungal metabolite |
chloroorienticin b | [no description available] | low | 0 | 0 | cyclic ether; glycopeptide; heterodetic cyclic peptide; monosaccharide derivative; organochlorine compound; polyphenol | antimicrobial agent; bacterial metabolite |
fumagillol | [no description available] | low | 0 | 0 | secondary alcohol; sesquiterpenoid; spiro-epoxide | antimicrobial agent |
silver sulfadiazine | [no description available] | low | 0 | 0 | pyrimidines; silver salt; sulfonamidate | antibacterial drug; antimicrobial agent |
fosfomycin | [no description available] | low | 0 | 0 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
aclarubicin | [no description available] | low | 0 | 0 | aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion | antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
azaserine | [no description available] | low | 0 | 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 |
antofine | [no description available] | low | 0 | 0 | alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound | angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite |
cannabidiol | [no description available] | low | 0 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
sf 2370 | [no description available] | low | 0 | 0 | bridged compound; gamma-lactam; methyl ester; organic heterooctacyclic compound | antimicrobial agent; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; tropomyosin-related kinase B receptor antagonist |
chuangxinmycin | [no description available] | low | 0 | 0 | indole alkaloid; monocarboxylic acid; thiinoindole | antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor |
telavancin | [no description available] | low | 0 | 0 | glycopeptide | antibacterial drug; antimicrobial agent |
apramycin | [no description available] | low | 0 | 0 | 2-deoxystreptamine derivative; aminoglycoside; organic heterobicyclic compound | antibacterial drug; antimicrobial agent |
fraxetin | [no description available] | low | 0 | 0 | aromatic ether; hydroxycoumarin | anti-inflammatory agent; antibacterial agent; antimicrobial agent; antioxidant; apoptosis inducer; apoptosis inhibitor; Arabidopsis thaliana metabolite; hepatoprotective agent; hypoglycemic agent |
quercetin 3-o-methyl ether | [no description available] | low | 0 | 0 | monomethoxyflavone; tetrahydroxyflavone | antimicrobial agent; metabolite |
mangostin | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
maytansine | [no description available] | low | 0 | 0 | alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound | antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator |
acetylspiramycin | [no description available] | low | 0 | 0 | acetate ester; aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
ly 163892 | [no description available] | low | 0 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
geldanamycin | [no description available] | low | 0 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound | antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor |
herbimycin | [no description available] | low | 0 | 0 | 1,4-benzoquinones; lactam; macrocycle | antimicrobial agent; apoptosis inducer; herbicide; Hsp90 inhibitor; tyrosine kinase inhibitor |
n-cinnamoyltyramine | [no description available] | low | 0 | 0 | cinnamamides; phenols; secondary carboxamide | allelochemical; antimicrobial agent; phytoalexin; platelet aggregation inhibitor |
reumycin | [no description available] | low | 0 | 0 | carbonyl compound; pyrimidotriazine | antimicrobial agent; antineoplastic agent; bacterial metabolite |
bialaphos | [no description available] | low | 0 | 0 | phosphinic acids; tripeptide | antimicrobial agent; bacterial metabolite |
rifamycin sv | [no description available] | low | 0 | 0 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins | antimicrobial agent; antitubercular agent; bacterial metabolite |
mastoparan | [no description available] | low | 0 | 0 | mastoparans; peptidyl amide | antimicrobial agent |
sulfacetamide sodium | [no description available] | low | 0 | 0 | hydrate; organic sodium salt | antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
rifaximin | [no description available] | low | 0 | 0 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative | antimicrobial agent; gastrointestinal drug; orphan drug |
germacrone | [no description available] | low | 0 | 0 | germacrane sesquiterpenoid; olefinic compound | androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component |
piericidin a | [no description available] | low | 0 | 0 | aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol | antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor |
manumycin | [no description available] | low | 0 | 0 | enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol | antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite |
demycarosylturimycin h | [no description available] | low | 0 | 0 | aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
asukamycin | [no description available] | low | 0 | 0 | enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite |
kalimantacin a | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbamate ester; fatty acid derivative; secondary carboxamide | antibacterial agent; antimicrobial agent; bacterial metabolite |
cefluprenam | [no description available] | low | 0 | 0 | cephalosporin; thiadiazoles | antimicrobial agent |
platensimycin | [no description available] | low | 0 | 0 | aromatic amide; cyclic ether; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage | antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor |
gemifloxacin | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor |
gemifloxacin mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | antimicrobial agent; topoisomerase IV inhibitor |
avibactam | [no description available] | low | 0 | 0 | azabicycloalkane; hydroxylamine O-sulfonic acid; monocarboxylic acid amide; ureas | antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
ppi-0903 | [no description available] | low | 0 | 0 | 1,3-thiazoles; cephalosporin; iminium betaine; organic phosphoramidate; oxime O-ether; thiadiazoles | antibacterial drug; antimicrobial agent; prodrug |
tmc-95a | [no description available] | low | 0 | 0 | indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol | antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor |
topopyrone c | [no description available] | low | 0 | 0 | naphthochromene; p-quinones; phenols | antimicrobial agent; antineoplastic agent; antiviral agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; Penicillium metabolite |
monacolin j | [no description available] | low | 0 | 0 | 2-pyranones; carbobicyclic compound; hexahydronaphthalenes; polyketide; secondary alcohol | antimicrobial agent; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; fungal metabolite |
nidulalin a | [no description available] | low | 0 | 0 | methyl ester; phenols; xanthones | antimicrobial agent; antineoplastic agent; Penicillium metabolite |
elloramycin | [no description available] | low | 0 | 0 | alpha-L-rhamnoside; carboxylic ester; enol ether; enone; methyl ester; monosaccharide derivative; phenols; tertiary alpha-hydroxy ketone; tetracenomycin | antimicrobial agent; bacterial metabolite |
arisugacin | [no description available] | low | 0 | 0 | aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol | antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite |
lactonamycin | [no description available] | low | 0 | 0 | gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative | antibacterial agent; antimicrobial agent; metabolite |
tmc-95b | [no description available] | low | 0 | 0 | indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol | antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor |
fr 901464 | [no description available] | low | 0 | 0 | acetate ester; cyclic hemiketal; monocarboxylic acid amide; pyrans; spiro-epoxide | antimicrobial agent; antineoplastic agent; bacterial metabolite |
baci-im | [no description available] | low | 0 | 0 | homodetic cyclic peptide; polypeptide; zwitterion | antibacterial agent; antimicrobial agent |
streptogramin b | [no description available] | low | 0 | 0 | cyclodepsipeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
tedizolid | [no description available] | low | 0 | 0 | carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles | antimicrobial agent; drug metabolite; protein synthesis inhibitor |
tedizolid phosphate | [no description available] | low | 0 | 0 | carbamate ester; organofluorine compound; oxazolidinone; phosphate monoester; pyridines; tetrazoles | antimicrobial agent; prodrug; protein synthesis inhibitor |
32,33,34,35-bacteriohopanetetrol | [no description available] | low | 0 | 0 | hopanoid; tetrol | antimicrobial agent; bacterial metabolite; lipoxygenase inhibitor |
chir 090 | [no description available] | low | 0 | 0 | acetylenic compound; benzamides; hydroxamic acid; L-threonine derivative; morpholines | antimicrobial agent; EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor; lipopolysaccharide biosynthesis inhibitor |
finafloxacin | [no description available] | low | 0 | 0 | cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound | antibacterial drug; antimicrobial agent |
physalin b | [no description available] | low | 0 | 0 | enone; lactone; organic heteroheptacyclic compound; physalin | antimalarial; antimicrobial agent; antineoplastic agent |
anticapsin | [no description available] | low | 0 | 0 | alicyclic ketone; epoxide; L-alanine derivative; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antimicrobial agent; bacterial metabolite; EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor |
cytotrienin a | [no description available] | low | 0 | 0 | cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol | antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite |
complestatin | [no description available] | low | 0 | 0 | cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol | anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite |
dalbavancin | [no description available] | low | 0 | 0 | carbohydrate acid derivative; glycopeptide; monosaccharide derivative; semisynthetic derivative | antibacterial drug; antimicrobial agent |
oritavancin | [no description available] | low | 0 | 0 | disaccharide derivative; glycopeptide; semisynthetic derivative | antibacterial drug; antimicrobial agent |
thiazomycin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide | antibacterial agent; antimicrobial agent; bacterial metabolite |
ristocetin | [no description available] | low | 0 | 0 | glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative | antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist |
platencin | [no description available] | low | 0 | 0 | aromatic amide; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage | antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor |
respirantin | [no description available] | low | 0 | 0 | benzamides; cyclodepsipeptide; formamides; phenols | antimicrobial agent; antineoplastic agent; metabolite |
avilamycin a | [no description available] | low | 0 | 0 | benzoate ester; cyclic acetal; dichlorobenzene; oligosaccharide derivative; ortho ester; oxaspiro compound; phenols; tertiary alpha-hydroxy ketone | antimicrobial agent; bacterial metabolite |
cathestatin b | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide; epoxide; monocarboxylic acid; phenols; primary amino compound | antimicrobial agent; cysteine protease inhibitor; Penicillium metabolite |
tazobactam sodium | [no description available] | low | 0 | 0 | organic sodium salt | antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
clavulanate potassium | [no description available] | low | 0 | 0 | potassium salt | antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
cefmetazole sodium | [no description available] | low | 0 | 0 | organic sodium salt | antimicrobial agent |
borrelidin | [no description available] | low | 0 | 0 | aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol | antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite |
arenaemycin e | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; organic heterotricyclic compound; sesquiterpene lactone; spiro-epoxide | antimicrobial agent; bacterial metabolite; EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor |
marinopyrrole a | [no description available] | low | 0 | 0 | aromatic ketone; organochlorine compound; phenols; pyrroles | antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite |
nxl 104 | [no description available] | low | 0 | 0 | organic sodium salt | antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
bacillaene | [no description available] | low | 0 | 0 | enamine; monocarboxylic acid amide; polyene antibiotic; polyketide; secondary alcohol | antibacterial agent; antimicrobial agent; bacterial metabolite |
brartemicin | [no description available] | low | 0 | 0 | benzoate ester; glycosyl glycoside derivative; resorcinols | antimicrobial agent; metabolite |
muraymycin d2 | [no description available] | low | 0 | 0 | zwitterion | antimicrobial agent |
roseoflavin | [no description available] | low | 0 | 0 | benzopteridine | antimicrobial agent; bacterial metabolite |
coumermycin | [no description available] | low | 0 | 0 | aromatic amide; coumarins; glycoside; heteroarenecarboxylate ester; pyrroles | antimicrobial agent; antineoplastic agent; bacterial metabolite; DNA synthesis inhibitor; Hsp90 inhibitor; topoisomerase IV inhibitor |
novobiocin | [no description available] | low | 0 | 0 | carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols | antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent |
ilicicolin h | [no description available] | low | 0 | 0 | aromatic ketone; carbobicyclic compound; ilicicolin; monohydroxypyridine; octahydronaphthalenes; phenols; pyridone | antimicrobial agent; mitochondrial respiratory-chain inhibitor |
streptolydigin | [no description available] | low | 0 | 0 | bridged compound; cyclic ketal; enol; monocarboxylic acid amide; N-glycosyl compound; organic heterobicyclic compound; pyrrolidinone; spiro-epoxide | antimicrobial agent; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor |
vinylamycin | [no description available] | low | 0 | 0 | cyclodepsipeptide; macrocycle; primary alcohol | antibacterial agent; antimicrobial agent; metabolite |
brasilicardin a | [no description available] | low | 0 | 0 | benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols | antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent |
zorbamycin | [no description available] | low | 0 | 0 | glycopeptide | antimicrobial agent; bacterial metabolite |
phleomycin d1 | [no description available] | low | 0 | 0 | bi-1,3-thiazole; chelate-forming peptide; disaccharide derivative; glycopeptide; guanidines | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite |
duramycin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; macrocycle | antimicrobial agent; apoptosis inducer; bacterial metabolite |
ceftobiprole | [no description available] | low | 0 | 0 | cephalosporin; thiadiazoles | antimicrobial agent |
pyrazofurin | [no description available] | low | 0 | 0 | C-glycosyl compound; pyrazoles | antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor |
indolmycin | [no description available] | low | 0 | 0 | 1,3-oxazoles; indoles; secondary amino compound | antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor |
streptothricin f | [no description available] | low | 0 | 0 | guanidinium ion; primary aliphatic ammonium ion | antimicrobial agent |
protocatechuic acid | [no description available] | low | 0 | 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 |
aminolevulinic acid | [no description available] | low | 0 | 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 |
perillic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid | antineoplastic agent; human metabolite; mouse metabolite |
pk 11195 | [no description available] | low | 0 | 0 | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
pd 173074 | [no description available] | low | 0 | 0 | aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist |
aminopropionitrile | [no description available] | low | 0 | 0 | aminopropionitrile | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
5-(n,n-hexamethylene)amiloride | [no description available] | low | 0 | 0 | aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines | antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker |
7,8-dihydroxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone | antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist |
ro 48-8071 | [no description available] | low | 0 | 0 | aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound | antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor |
rtki cpd | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; quinazolines | antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector |
alfuzosin | [no description available] | low | 0 | 0 | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
am 251 | [no description available] | low | 0 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles | antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist |
am 580 | [no description available] | low | 0 | 0 | amidobenzoic acid; tetralins | antineoplastic agent; retinoic acid receptor alpha/beta agonist |
aminoglutethimide | [no description available] | low | 0 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
amsacrine | [no description available] | low | 0 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
azathioprine | [no description available] | low | 0 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
azelaic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
buformin | [no description available] | low | 0 | 0 | biguanides | antineoplastic agent; antiviral agent; geroprotector; hypoglycemic agent; radiosensitizing agent |
busulfan | [no description available] | low | 0 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
camostat | [no description available] | low | 0 | 0 | benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
carmustine | [no description available] | low | 0 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
cgs 15943 | [no description available] | low | 0 | 0 | aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline | adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant |
chelerythrine | [no description available] | low | 0 | 0 | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
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 |
ci 994 | [no description available] | low | 0 | 0 | acetamides; benzamides; substituted aniline | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
ciglitazone | [no description available] | low | 0 | 0 | aromatic ether; thiazolidinone | antineoplastic agent; insulin-sensitizing drug |
cl 387785 | [no description available] | low | 0 | 0 | bromobenzenes; quinazolines; secondary carboxamide; ynamide | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
clofibric acid | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
dacarbazine | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; carcinogenic agent; prodrug |
dequalinium | [no description available] | low | 0 | 0 | quinolinium ion | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
disulfiram | [no description available] | low | 0 | 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 |
doxazosin | [no description available] | low | 0 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
ebselen | [no description available] | low | 0 | 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 |
etanidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent |
etidronate | [no description available] | low | 0 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
flutamide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
miltefosine | [no description available] | low | 0 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
beta-thujaplicin | [no description available] | low | 0 | 0 | cyclic ketone; enol; monoterpenoid | antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite |
hydroxyurea | [no description available] | low | 0 | 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 |
ifosfamide | [no description available] | low | 0 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
leflunomide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide | antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor |
letrozole | [no description available] | low | 0 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
lomustine | [no description available] | low | 0 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
6-anilino-5,8-quinolinedione | [no description available] | low | 0 | 0 | aminoquinoline; aromatic amine; p-quinones; quinolone | antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor |
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | [no description available] | low | 0 | 0 | benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
meclofenamic acid | [no description available] | low | 0 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
nocodazole | [no description available] | low | 0 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
midazolam | [no description available] | low | 0 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
mitoxantrone | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
entinostat | [no description available] | low | 0 | 0 | benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
n(1), n(12)-diethylspermine | [no description available] | low | 0 | 0 | polyazaalkane; secondary amino compound; substituted spermine; tetramine | antineoplastic agent |
nilutamide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent |
nortriptyline | [no description available] | low | 0 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | [no description available] | low | 0 | 0 | aromatic ether; C-nitro compound; sulfonamide | antineoplastic agent; cyclooxygenase 2 inhibitor |
pd 158780 | [no description available] | low | 0 | 0 | aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
4-phenylbutyric acid | [no description available] | low | 0 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
oxophenylarsine | [no description available] | low | 0 | 0 | arsine oxides | antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
pipobroman | [no description available] | low | 0 | 0 | N-acylpiperazine; organobromine compound; tertiary carboxamide | alkylating agent; antineoplastic agent |
pj-34 | [no description available] | low | 0 | 0 | phenanthridines; secondary carboxamide; tertiary amino compound | angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent |
procarbazine | [no description available] | low | 0 | 0 | benzamides; hydrazines | antineoplastic agent |
salicylsalicylic acid | [no description available] | low | 0 | 0 | benzoate ester; benzoic acids; phenols; salicylates | antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
semustine | [no description available] | low | 0 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent |
imatinib | [no description available] | low | 0 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
SU6656 | [no description available] | low | 0 | 0 | oxindoles; sulfonamide | antineoplastic agent; Aurora kinase inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
sulforaphane | [no description available] | low | 0 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
suramin | [no description available] | low | 0 | 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 |
temozolomide | [no description available] | low | 0 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
terazosin | [no description available] | low | 0 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
2,2'-thiodiethanol | [no description available] | low | 0 | 0 | aliphatic sulfide; diol | antineoplastic agent; antioxidant; metabolite; solvent |
tilorone | [no description available] | low | 0 | 0 | aromatic ether; diether; fluoren-9-ones; tertiary amino compound | anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist |
troglitazone | [no description available] | low | 0 | 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 |
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | [no description available] | low | 0 | 0 | aromatic primary alcohol; furans; indazoles | antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
prednisolone | [no description available] | low | 0 | 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 |
floxuridine | [no description available] | low | 0 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
prednisone | [no description available] | low | 0 | 0 | 11-oxo 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; immunosuppressive agent; prodrug |
estrone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
azauridine | [no description available] | low | 0 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite; antineoplastic agent; drug metabolite |
mechlorethamine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
vincristine | [no description available] | low | 0 | 0 | acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
methyltestosterone | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | anabolic agent; androgen; antineoplastic agent |
dromostanolone | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid | anabolic agent; antineoplastic agent |
bromodeoxyuridine | [no description available] | low | 0 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
tributyrin | [no description available] | low | 0 | 0 | butyrate ester; triglyceride | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent |
ethyl methanesulfonate | [no description available] | low | 0 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent |
triaziquone | [no description available] | low | 0 | 0 | 1,4-benzoquinones; aziridines | alkylating agent; antineoplastic agent |
cytarabine | [no description available] | low | 0 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
trifluridine | [no description available] | low | 0 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
medroxyprogesterone acetate | [no description available] | low | 0 | 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 |
fluoxymesterone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid | anabolic agent; antineoplastic agent |
acetopyrrothine | [no description available] | low | 0 | 0 | acetamides; dithiolopyrrolone antibiotic | angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin |
phenformin | [no description available] | low | 0 | 0 | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
dibenzoylmethane | [no description available] | low | 0 | 0 | aromatic ketone; beta-diketone | antimutagen; antineoplastic agent; metabolite |
suramin sodium | [no description available] | low | 0 | 0 | organic sodium salt | 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 |
pyrazolanthrone | [no description available] | low | 0 | 0 | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
diazooxonorleucine | [no description available] | low | 0 | 0 | amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid | analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist |
azacitidine | [no description available] | low | 0 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
diazomethane | [no description available] | low | 0 | 0 | diazo compound | alkylating agent; antineoplastic agent; carcinogenic agent; poison |
procarbazine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
naphthazarin | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone | acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite |
lucanthone | [no description available] | low | 0 | 0 | thioxanthenes | adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug |
emetine | [no description available] | low | 0 | 0 | isoquinoline alkaloid; pyridoisoquinoline | antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor |
physcione | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite |
dequalinium chloride | [no description available] | low | 0 | 0 | organic chloride salt | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | [no description available] | low | 0 | 0 | terpineol; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component |
formestane | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
chlorotrianisene | [no description available] | low | 0 | 0 | chloroalkene | antineoplastic agent; estrogen receptor modulator; xenoestrogen |
megestrol acetate | [no description available] | low | 0 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
toyocamycin | [no description available] | low | 0 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside | antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite |
2-hydroxyacetanilide | [no description available] | low | 0 | 0 | acetamides; phenols | anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite |
methoxyacetic acid | [no description available] | low | 0 | 0 | ether; monocarboxylic acid | antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen |
2-fluoroadenine | [no description available] | low | 0 | 0 | organofluorine compound; purines | antineoplastic agent |
tetramethylpyrazine | [no description available] | low | 0 | 0 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
guanazole | [no description available] | low | 0 | 0 | aromatic amine; triazoles | antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor |
diallyl trisulfide | [no description available] | low | 0 | 0 | organic trisulfide | anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent |
diallyl disulfide | [no description available] | low | 0 | 0 | organic disulfide | antifungal agent; antineoplastic agent; plant metabolite |
phenethyl isothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate | antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite |
glaucine | [no description available] | low | 0 | 0 | aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound | antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite |
acadesine | [no description available] | low | 0 | 0 | 1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue | antineoplastic agent; platelet aggregation inhibitor |
doxifluridine | [no description available] | low | 0 | 0 | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
megestrol | [no description available] | low | 0 | 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 |
cladribine | [no description available] | low | 0 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
tabersonine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | antineoplastic agent; metabolite |
vidarabine | [no description available] | low | 0 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
cyclophosphamide | [no description available] | low | 0 | 0 | hydrate | alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent |
helenalin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite |
etidronate disodium | [no description available] | low | 0 | 0 | organic sodium salt | antineoplastic agent; bone density conservation agent; chelator |
isopentenyladenosine | [no description available] | low | 0 | 0 | N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue | antineoplastic agent; plant growth regulator; plant metabolite |
nsc-145,668 | [no description available] | low | 0 | 0 | hydrochloride | antimetabolite; antineoplastic agent |
ancitabine | [no description available] | low | 0 | 0 | diol; organic heterotricyclic compound | antimetabolite; antineoplastic agent; prodrug |
clodronic acid | [no description available] | low | 0 | 0 | 1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound | antineoplastic agent; bone density conservation agent |
daunorubicin | [no description available] | low | 0 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
fludarabine phosphate | [no description available] | low | 0 | 0 | nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate | antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug |
2,6-diaminopurine | [no description available] | low | 0 | 0 | 2,6-diaminopurines; primary amino compound | antineoplastic agent |
silybin | [no description available] | low | 0 | 0 | aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite |
glucaric acid | [no description available] | low | 0 | 0 | glucaric acid | antineoplastic agent |
promegestone | [no description available] | low | 0 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid | antineoplastic agent; progesterone receptor agonist; progestin |
perfosfamide | [no description available] | low | 0 | 0 | nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide | alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite |
nimustine | [no description available] | low | 0 | 0 | aminopyrimidine; N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
lonidamine | [no description available] | low | 0 | 0 | dichlorobenzene; indazoles; monocarboxylic acid | antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector |
vindesine | [no description available] | low | 0 | 0 | methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent |
diaziquone | [no description available] | low | 0 | 0 | 1,4-benzoquinones; aziridines; carbamate ester; enamine | alkylating agent; antineoplastic agent |
midazolam hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; imidazobenzodiazepine | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
oltipraz | [no description available] | low | 0 | 0 | 1,2-dithiole; pyrazines | angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug |
fazarabine | [no description available] | low | 0 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
mitoxantrone hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
bisantrene | [no description available] | low | 0 | 0 | anthracenes; hydrazone; imidazolidines | antineoplastic agent |
lovastatin | [no description available] | low | 0 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
cabergoline | [no description available] | low | 0 | 0 | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
nitrogenase stabilizing-protective protein, bacteria | [no description available] | low | 0 | 0 | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | androgen antagonist; antineoplastic agent |
bmy 25067 | [no description available] | low | 0 | 0 | C-nitro compound; organic disulfide | antineoplastic agent |
brequinar | [no description available] | low | 0 | 0 | biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor |
imiquimod | [no description available] | low | 0 | 0 | imidazoquinoline | antineoplastic agent; interferon inducer |
aromasil | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic |
cidofovir anhydrous | [no description available] | low | 0 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
gemcitabine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; organofluorine compound | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent |
irinotecan | [no description available] | low | 0 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
capecitabine | [no description available] | low | 0 | 0 | carbamate ester; cytidines; organofluorine compound | antimetabolite; antineoplastic agent; prodrug |
nelfinavir mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | antineoplastic agent; HIV protease inhibitor |
nelfinavir | [no description available] | low | 0 | 0 | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
ro 5-3335 | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone; organochlorine compound; pyrroles | anti-HIV-1 agent; antineoplastic agent; HIV-1 Tat inhibitor; RUNX1 inhibitor |
plerixafor | [no description available] | low | 0 | 0 | azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound | anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant |
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | [no description available] | low | 0 | 0 | gallate ester; galloyl beta-D-glucose | anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger |
pyrrolidine dithiocarbamate | [no description available] | low | 0 | 0 | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
triptonide | [no description available] | low | 0 | 0 | butenolide; cyclic ketone; diterpene triepoxide; organic heteroheptacyclic compound | anti-inflammatory agent; antineoplastic agent; immunosuppressive agent |
3'-deoxyadenosine 5'-triphosphate | [no description available] | low | 0 | 0 | purine ribonucleoside 5'-triphosphate | antifungal agent; antimetabolite; antineoplastic agent; antiviral agent |
2-methoxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
toxoflavin | [no description available] | low | 0 | 0 | carbonyl compound; pyrimidotriazine | antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor |
tangeretin | [no description available] | low | 0 | 0 | pentamethoxyflavone | antineoplastic agent; plant metabolite |
ethinylestradiol-3-sulfate | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; steroid sulfate | antineoplastic agent; estrogen |
lonazolac | [no description available] | low | 0 | 0 | monocarboxylic acid; monochlorobenzenes; pyrazoles | antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
dw a 2114r | [no description available] | low | 0 | 0 | platinum coordination entity; pyrrolidines | antineoplastic agent |
prednisolone phosphate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone | anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug |
sesamin | [no description available] | low | 0 | 0 | benzodioxoles; furofuran; lignan | antineoplastic agent; neuroprotective agent; plant metabolite |
nobiletin | [no description available] | low | 0 | 0 | methoxyflavone | antineoplastic agent; plant metabolite |
alantolactone | [no description available] | low | 0 | 0 | naphthofuran; olefinic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; plant metabolite |
kaurenoic acid | [no description available] | low | 0 | 0 | ent-kaurane diterpenoid | anti-HIV-1 agent; antineoplastic agent; plant metabolite |
xanthomicrol | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
voacamine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; plant metabolite |
brazilin | [no description available] | low | 0 | 0 | catechols; organic heterotetracyclic compound; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite |
uvaretin | [no description available] | low | 0 | 0 | aromatic ether; dihydrochalcones; polyketide; resorcinol | antineoplastic agent; plant metabolite |
fangchinoline | [no description available] | low | 0 | 0 | aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle | anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite |
maslinic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite |
tetrazolium violet | [no description available] | low | 0 | 0 | organic chloride salt | antineoplastic agent; apoptosis inducer; dye |
irinotecan hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
5-(3-methyl-1-triazeno)imidazole-4-carboxamide | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent |
hydroxyguanidine | [no description available] | low | 0 | 0 | guanidines; one-carbon compound | antineoplastic agent; antiviral agent |
cryptolepine | [no description available] | low | 0 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound | anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite |
bexarotene | [no description available] | low | 0 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent |
3,4-dihydroxyphenylethanol | [no description available] | low | 0 | 0 | catechols; primary alcohol | antineoplastic agent; antioxidant; metabolite |
terreic acid | [no description available] | low | 0 | 0 | arene epoxide; diketone; monohydroxy-1,4-benzoquinones; tertiary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; Aspergillus metabolite; EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; mycotoxin |
4-methylumbelliferyl glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; coumarins; monosaccharide derivative | antineoplastic agent; chromogenic compound; hyaluronan synthesis inhibitor |
9-hydroxyellipticine | [no description available] | low | 0 | 0 | organic heterotetracyclic compound; organonitrogen heterocyclic compound | antineoplastic agent |
nimustine | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
beta-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols | antineoplastic agent; plant metabolite |
alpha-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols | antineoplastic agent; metabolite |
cryptopleurine | [no description available] | low | 0 | 0 | alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound | antineoplastic agent; antiviral agent; protein synthesis inhibitor |
sugiol | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols | antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger |
eupatorin | [no description available] | low | 0 | 0 | dihydroxyflavone; polyphenol; trimethoxyflavone | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; Brassica napus metabolite; calcium channel blocker; P450 inhibitor; vasodilator agent |
1-methyltryptophan | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid; tryptophan derivative | antineoplastic agent; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor |
atromentin | [no description available] | medium | 0 | 0 | dihydroxy-1,4-benzoquinones; polyphenol | antibacterial agent; anticoagulant; antineoplastic agent; apoptosis inducer; biological pigment; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; fungal metabolite |
diosgenin | [no description available] | low | 0 | 0 | 3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal | antineoplastic agent; antiviral agent; apoptosis inducer; metabolite |
alpha-glutamyltryptophan | [no description available] | low | 0 | 0 | dipeptide | angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite |
fulvestrant | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
ici 164384 | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; tertiary carboxamide | anti-estrogen; antineoplastic agent; estrogen receptor antagonist |
sn 38 | [no description available] | low | 0 | 0 | delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol | antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
hc toxin | [no description available] | low | 0 | 0 | homodetic cyclic peptide; tetrapeptide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; metabolite; phytotoxin |
fingolimod | [no description available] | low | 0 | 0 | aminodiol; primary amino compound | antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
tamibarotene | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide; retinoid; tetralins | antineoplastic agent; retinoic acid receptor alpha/beta agonist |
ecteinascidin 743 | [no description available] | low | 0 | 0 | acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound | alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite |
kahweol | [no description available] | low | 0 | 0 | diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
selenomethylselenocysteine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid; selenocysteines | antineoplastic agent; human metabolite |
tephrosin | [no description available] | low | 0 | 0 | aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; pesticide |
5-(tetradecyloxy)-2-furancarboxylic acid | [no description available] | low | 0 | 0 | aromatic ether; furoic acid | antineoplastic agent; apoptosis inducer; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; PPARalpha agonist |
sc 58125 | [no description available] | low | 0 | 0 | organofluorine compound; pyrazoles; sulfone | antineoplastic agent; cyclooxygenase 2 inhibitor |
marimastat | [no description available] | low | 0 | 0 | hydroxamic acid; secondary carboxamide | antineoplastic agent; matrix metalloproteinase inhibitor |
1'-acetoxychavicol acetate | [no description available] | low | 0 | 0 | acetate ester; phenylpropanoid | antineoplastic agent; NF-kappaB inhibitor; plant metabolite |
clofarabine | [no description available] | low | 0 | 0 | adenosines; organofluorine compound | antimetabolite; antineoplastic agent |
dioscin | [no description available] | low | 0 | 0 | hexacyclic triterpenoid; spiroketal; spirostanyl glycoside; trisaccharide derivative | anti-inflammatory agent; antifungal agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 1.14.18.1 (tyrosinase) inhibitor; hepatoprotective agent; metabolite |
ginsenoside rh2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 20-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; bone density conservation agent; cardioprotective agent; hepatoprotective agent; plant metabolite |
trapoxin a | [no description available] | low | 0 | 0 | epoxide; homodetic cyclic peptide; ketone | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; fungal metabolite |
imatinib mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
aminolevulinic acid hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug |
gefitinib | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
cgp 42112a | [no description available] | low | 0 | 0 | benzyl ester; oligopeptide; pyridinecarboxamide | angiotensin receptor agonist; anti-inflammatory agent; antineoplastic agent; neuroprotective agent; vasodilator agent |
vadimezan | [no description available] | low | 0 | 0 | monocarboxylic acid; xanthones | antineoplastic agent |
rubimaillin | [no description available] | low | 0 | 0 | benzochromene; methyl ester; phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite |
4-carbamoylimidazolium 5-olate | [no description available] | low | 0 | 0 | hydroxyimidazole; monocarboxylic acid amide | antineoplastic agent |
nsc 224070 | [no description available] | low | 0 | 0 | 1,4-benzoquinones; aziridines; enamine; primary alcohol; secondary amino compound | alkylating agent; antineoplastic agent |
psorospermin | [no description available] | low | 0 | 0 | epoxide; organic heterotetracyclic compound; xanthones | antineoplastic agent; plant metabolite |
methotrexate | [no description available] | low | 0 | 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 |
3,7-dihydroxytropolone | [no description available] | low | 0 | 0 | alpha-hydroxy ketone; cyclic ketone; enol; triol | antineoplastic agent; bacterial metabolite |
delphinidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent; biological pigment; plant metabolite |
tamsulosin | [no description available] | low | 0 | 0 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent |
saintopin | [no description available] | low | 0 | 0 | tetracenequinones | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; fungal metabolite; intercalator |
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene | [no description available] | low | 0 | 0 | monoterpenoid; organobromine compound; organochlorine compound | algal metabolite; antineoplastic agent; marine metabolite |
ilomastat | [no description available] | low | 0 | 0 | hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid | anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent |
abiraterone | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines | antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor |
yakuchinone-a | [no description available] | low | 0 | 0 | ketone; monomethoxybenzene; phenols | antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
pomalidomide | [no description available] | low | 0 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
tempol | [no description available] | low | 0 | 0 | aminoxyls; hydroxypiperidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger |
selenomethylselenocysteine | [no description available] | low | 0 | 0 | amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine | antineoplastic agent |
10-propargyl-10-deazaaminopterin | [no description available] | low | 0 | 0 | N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
docetaxel anhydrous | [no description available] | low | 0 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
lonafarnib | [no description available] | low | 0 | 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 |
6-azauridine-5'-monophosphate | [no description available] | low | 0 | 0 | N-glycosyl-1,2,4-triazine; nucleoside monophosphate analogue | antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor |
ptk 787 | [no description available] | low | 0 | 0 | succinate salt | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
vatalanib | [no description available] | low | 0 | 0 | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
cyc 682 | [no description available] | low | 0 | 0 | nitrile; nucleoside analogue; secondary carboxamide | antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug |
canertinib | [no description available] | low | 0 | 0 | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
methyl 5-aminolevulinate hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug |
methyl 5-aminolevulinate | [no description available] | low | 0 | 0 | delta-amino acid ester | antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug |
tipifarnib | [no description available] | low | 0 | 0 | imidazoles; monochlorobenzenes; primary amino compound; quinolone | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
aklavinone | [no description available] | low | 0 | 0 | anthracycline; methyl ester; tertiary alcohol; tetracenequinones | antineoplastic agent |
actinodaphine | [no description available] | low | 0 | 0 | aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound | antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor |
anonaine | [no description available] | low | 0 | 0 | aporphine alkaloid; organic heteropentacyclic compound; oxacycle | antineoplastic agent; antiplasmodial drug; trypanocidal drug |
4'-demethyldesoxypodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols | antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite |
salvigenin | [no description available] | low | 0 | 0 | monohydroxyflavone; trimethoxyflavone | antilipemic drug; antineoplastic agent; apoptosis inhibitor; autophagy inducer; hypoglycemic agent; immunomodulator; neuroprotective agent; plant metabolite |
deferrioxamine e | [no description available] | low | 0 | 0 | cyclic desferrioxamine; cyclic hydroxamic acid; macrocycle | antineoplastic agent; bacterial metabolite; marine metabolite; siderophore |
ampelopsin | [no description available] | low | 0 | 0 | dihydromyricetin; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; metabolite |
methylselenic acid | [no description available] | low | 0 | 0 | one-carbon compound; organoselenium compound | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite |
acetyl aleuritolic acid | [no description available] | low | 0 | 0 | acetate ester; monocarboxylic acid; pentacyclic triterpenoid | antineoplastic agent; plant metabolite |
withanolide d | [no description available] | low | 0 | 0 | 20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide | antineoplastic agent |
myricanone | [no description available] | low | 0 | 0 | aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols | antineoplastic agent; plant metabolite |
cirsilineol | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
6-methylthiohexyl isothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate; methyl sulfide | antineoplastic agent; Arabidopsis thaliana metabolite; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; neuroprotective agent |
pectolinarin | [no description available] | low | 0 | 0 | dimethoxyflavone; disaccharide derivative; glycosyloxyflavone; monohydroxyflavanone; rutinoside | anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite |
albicanol | [no description available] | low | 0 | 0 | carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid | antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite |
asperphenamate | [no description available] | low | 0 | 0 | benzamides; carboxylic ester; L-phenylalanine derivative | antineoplastic agent |
erlotinib | [no description available] | low | 0 | 0 | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor |
erlotinib hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; terminal acetylenic compound | antineoplastic agent; protein kinase inhibitor |
corynoline | [no description available] | low | 0 | 0 | benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol | antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite |
helioxanthin | [no description available] | low | 0 | 0 | benzodioxoles; furonaphthodioxole; lignan | anti-HBV agent; antineoplastic agent; plant metabolite |
top 53 | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; organic heterotetracyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
5-heptadecylresorcinol | [no description available] | low | 0 | 0 | 5-alkylresorcinol | antineoplastic agent; plant metabolite |
minquartynoic acid | [no description available] | low | 0 | 0 | acetylenic fatty acid; hydroxy polyunsaturated fatty acid; long-chain fatty acid; straight-chain fatty acid; tetrayne | antimalarial; antineoplastic agent; antiviral agent |
scutellarin | [no description available] | low | 0 | 0 | glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antineoplastic agent; proteasome inhibitor |
ergolide | [no description available] | low | 0 | 0 | acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite |
2,5-dihydroxybenzyl alcohol | [no description available] | low | 0 | 0 | aromatic primary alcohol; phenols | antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite |
chrysosplenol c | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; antiviral agent; plant metabolite |
lanperisone | [no description available] | low | 0 | 0 | 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one | antineoplastic agent; calcium channel blocker; ferroptosis inducer; muscle relaxant; voltage-gated sodium channel blocker |
(-)-gallocatechin gallate | [no description available] | low | 0 | 0 | catechin; gallate ester; polyphenol | antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite |
orantinib | [no description available] | low | 0 | 0 | monocarboxylic acid; oxindoles; pyrroles | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
lapatinib | [no description available] | low | 0 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
firocoxib | [no description available] | low | 0 | 0 | butenolide; cyclopropanes; enol ether; sulfone | antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
2-(4-morpholinoanilino)-6-cyclohexylaminopurine | [no description available] | low | 0 | 0 | morpholines; purines; secondary amino compound; tertiary amino compound | adenosine A3 receptor antagonist; antineoplastic agent; Aurora kinase inhibitor; cell dedifferentiation agent |
sorafenib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor |
lenalidomide | [no description available] | low | 0 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
lasofoxifene | [no description available] | low | 0 | 0 | aromatic ether; N-alkylpyrrolidine; naphthols; tetralins | antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist |
l 778,123 | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor; radiosensitizing agent |
l 778,123 | [no description available] | low | 0 | 0 | imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor |
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide | [no description available] | low | 0 | 0 | chloroindole; organochlorine compound; sulfonamide | antineoplastic agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
diflomotecan | [no description available] | low | 0 | 0 | epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
demecolcine | [no description available] | low | 0 | 0 | alkaloid; secondary amino compound | antineoplastic agent; microtubule-destabilising agent |
dromostanolone propionate | [no description available] | low | 0 | 0 | 3-oxo-5alpha-steroid; steroid ester | antineoplastic agent |
vincaleukoblastine | [no description available] | low | 0 | 0 | acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite |
estramustine | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
withaferin a | [no description available] | low | 0 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | antineoplastic agent; apoptosis inducer |
noscapine | [no description available] | low | 0 | 0 | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
homoharringtonine | [no description available] | low | 0 | 0 | alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol | anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor |
elesclomol | [no description available] | low | 0 | 0 | carbohydrazide; thiocarbonyl compound | antineoplastic agent; apoptosis inducer |
rocaglamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound | antileishmanial agent; antineoplastic agent; metabolite |
anthricin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes | antineoplastic agent; apoptosis inducer; plant metabolite |
acronine | [no description available] | low | 0 | 0 | acridone derivatives; alkaloid | antineoplastic agent; metabolite |
taiwanin c | [no description available] | low | 0 | 0 | benzodioxoles; furonaphthodioxole; lignan | antineoplastic agent; plant metabolite; platelet aggregation inhibitor |
o-(chloroacetylcarbamoyl)fumagillol | [no description available] | low | 0 | 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 |
bortezomib | [no description available] | low | 0 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
gant 61 | [no description available] | low | 0 | 0 | aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound | antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor |
carnosine | [no description available] | low | 0 | 0 | amino acid zwitterion; dipeptide | anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent |
pentostatin | [no description available] | low | 0 | 0 | coformycins | antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor |
canaline | [no description available] | low | 0 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite |
hippeastrine | [no description available] | low | 0 | 0 | delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol | antineoplastic agent; metabolite |
peonidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent; antioxidant; apoptosis inducer; metabolite |
glaucarubinone | [no description available] | low | 0 | 0 | carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol | antimalarial; antineoplastic agent; geroprotector; plant metabolite |
helveticoside | [no description available] | low | 0 | 0 | 14beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid aldehyde; steroid lactone | antineoplastic agent; apoptosis inducer; plant metabolite |
ginsenoside re | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; nephroprotective agent; neuroprotective agent; plant metabolite |
ginsenoside rf | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; plant metabolite |
ferruginol | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols | antibacterial agent; antineoplastic agent; plant metabolite; protective agent |
stevioside | [no description available] | low | 0 | 0 | beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent |
decursinol | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol | analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
eugeniin | [no description available] | low | 0 | 0 | beta-D-glucoside; ellagitannin; gallate ester; lactone | anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
knipholone | [no description available] | low | 0 | 0 | aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols | antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite |
mucronulatol | [no description available] | low | 0 | 0 | hydroxyisoflavans; methoxyisoflavan | antineoplastic agent; plant metabolite |
syringaresinol | [no description available] | low | 0 | 0 | syringaresinol | antineoplastic agent |
enkephalin, methionine | [no description available] | low | 0 | 0 | pentapeptide; peptide zwitterion | analgesic; antineoplastic agent; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist |
devazepide | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone; indolecarboxamide | antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug |
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 |
surfactin c | [no description available] | low | 0 | 0 | cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone | antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant |
kerriamycin b | [no description available] | low | 0 | 0 | angucycline antibiotic | antineoplastic agent |
carubicin | [no description available] | low | 0 | 0 | aminoglycoside antibiotic; anthracycline antibiotic; p-quinones; tertiary alpha-hydroxy ketone; tetracenequinones | antineoplastic agent; apoptosis inducer |
docosahexaenoate | [no description available] | low | 0 | 0 | docosahexaenoic acid; omega-3 fatty acid | algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical |
eicosapentaenoic acid | [no description available] | low | 0 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
formycin | [no description available] | low | 0 | 0 | formycin | antineoplastic agent |
neocarzinostatin chromophore | [no description available] | low | 0 | 0 | cyclopentacyclononaoxirene; D-galactosaminide; dioxolane; monosaccharide derivative; naphthoate ester | antineoplastic agent |
epothilone b | [no description available] | low | 0 | 0 | epothilone; epoxide | antineoplastic agent; apoptosis inducer; microtubule-stabilising agent |
adenosine-5'-(n-ethylcarboxamide) | [no description available] | low | 0 | 0 | adenosines; monocarboxylic acid amide | adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
n(1)-guanyl-1,7-diaminoheptane | [no description available] | low | 0 | 0 | guanidines; primary amino compound | antineoplastic agent; EC 2.5.1.46 (deoxyhypusine synthase) inhibitor |
diethylstilbestrol | [no description available] | low | 0 | 0 | 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 |
bms 214662 | [no description available] | low | 0 | 0 | benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
epothilone a | [no description available] | low | 0 | 0 | epothilone; epoxide | antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator |
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine | [no description available] | low | 0 | 0 | 6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound | antineoplastic agent; Hsp90 inhibitor |
afimoxifene | [no description available] | low | 0 | 0 | phenols; tertiary amino compound | antineoplastic agent; estrogen receptor antagonist; metabolite |
teniposide | [no description available] | low | 0 | 0 | aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
steviol | [no description available] | low | 0 | 0 | bridged compound; ent-kaurane diterpenoid; monocarboxylic acid; tertiary allylic alcohol; tetracyclic diterpenoid | antineoplastic agent |
tiazofurin | [no description available] | low | 0 | 0 | 1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide | antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug |
melphalan | [no description available] | low | 0 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
prinomastat | [no description available] | low | 0 | 0 | aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor |
rubitecan | [no description available] | low | 0 | 0 | C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
arsenic trioxide | [no description available] | low | 0 | 0 | arsenic oxide | antineoplastic agent; insecticide |
isoliquiritigenin | [no description available] | low | 0 | 0 | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist |
xanthohumol | [no description available] | low | 0 | 0 | aromatic ether; chalcones; polyphenol | anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite |
vedelianin | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | antineoplastic agent; plant metabolite |
s 1033 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
trilostane | [no description available] | low | 0 | 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 |
leuprolide acetate | [no description available] | low | 0 | 0 | acetate salt | antineoplastic agent; gonadotropin releasing hormone agonist |
leuprolide | [no description available] | low | 0 | 0 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
mercaptopurine | [no description available] | low | 0 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
iFSP1 | [no description available] | low | 0 | 0 | aromatic amine; nitrile; primary amino compound; pyridobenzimidazole; toluenes | antineoplastic agent; ferroptosis inducer; ferroptosis suppressor protein 1 inhibitor |
4-iodo-6-phenylpyrimidine | [no description available] | low | 0 | 0 | biaryl; organoiodine compound; pyrimidines | antineoplastic agent; apoptosis inducer; macrophage migration inhibitory factor inhibitor |
oncrasin-1 | [no description available] | low | 0 | 0 | arenecarbaldehyde; indoles; monochlorobenzenes | antineoplastic agent; apoptosis inducer |
cct018159 | [no description available] | low | 0 | 0 | benzodioxine; pyrazoles; resorcinols | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
sulindac | [no description available] | low | 0 | 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 |
xl147 | [no description available] | low | 0 | 0 | aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
mcb-613 | [no description available] | low | 0 | 0 | cyclic ketone; enone; pyridines | antineoplastic agent; steroid receptor coactivator stimulator |
thioguanine anhydrous | [no description available] | low | 0 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
stattic | [no description available] | low | 0 | 0 | 1-benzothiophenes; C-nitro compound; sulfone | antineoplastic agent; radiosensitizing agent; STAT3 inhibitor |
krn 7000 | [no description available] | low | 0 | 0 | glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine | allergen; antigen; antineoplastic agent; epitope; immunological adjuvant |
10058-F4 | [no description available] | low | 0 | 0 | olefinic compound; thiazolidinone | antineoplastic agent; apoptosis inducer |
monastrol | [no description available] | low | 0 | 0 | enoate ester; ethyl ester; phenols; racemate; thioureas | antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor |
toremifene | [no description available] | low | 0 | 0 | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
u 0126 | [no description available] | low | 0 | 0 | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
beauvericin | [no description available] | low | 0 | 0 | cyclodepsipeptide | antibiotic insecticide; antifungal agent; antineoplastic agent; apoptosis inhibitor; fungal metabolite; ionophore; mycotoxin; P450 inhibitor |
nelarabine | [no description available] | low | 0 | 0 | beta-D-arabinoside; monosaccharide derivative; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor; prodrug |
bms 387032 | [no description available] | low | 0 | 0 | 1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
manool | [no description available] | low | 0 | 0 | labdane diterpenoid; tertiary alcohol | antibacterial agent; antineoplastic agent; plant metabolite |
amrubicin | [no description available] | low | 0 | 0 | anthracycline antibiotic; methyl ketone; primary amino compound; quinone; tetracenes | antineoplastic agent; prodrug; topoisomerase II inhibitor |
ospemifene | [no description available] | low | 0 | 0 | aromatic ether; organochlorine compound; primary alcohol | anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator |
tandutinib | [no description available] | low | 0 | 0 | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
dasatinib | [no description available] | low | 0 | 0 | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
bigelovin | [no description available] | low | 0 | 0 | acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite |
zd 6474 | [no description available] | low | 0 | 0 | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | [no description available] | low | 0 | 0 | benzenes; thiadiazolidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
sc 560 | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug |
alsterpaullone | [no description available] | low | 0 | 0 | C-nitro compound; caprolactams; organic heterotetracyclic compound | anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
ginkgetin | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; methoxyflavone; ring assembly | anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
eupatilin | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
calcitriol | [no description available] | low | 0 | 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 |
herbacetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; plant metabolite |
chrysoeriol | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; antioxidant; metabolite |
dexmedetomidine | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; metabolite |
bryostatin 1 | [no description available] | low | 0 | 0 | acetate ester; bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol | alpha-secretase activator; anti-HIV-1 agent; antineoplastic agent; marine metabolite; protein kinase C agonist |
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2 | [no description available] | low | 0 | 0 | prostaglandins J; secondary alcohol | antineoplastic agent; antiviral agent |
pyrvinium | [no description available] | low | 0 | 0 | quinolinium ion | anthelminthic drug; antineoplastic agent |
cyclobenzaprine | [no description available] | low | 0 | 0 | 9,11,13-octadecatrienoic acid | antineoplastic agent; plant metabolite |
cucurbitacin i | [no description available] | low | 0 | 0 | cucurbitacin; tertiary alpha-hydroxy ketone | antineoplastic agent; plant metabolite |
daphnoretin | [no description available] | low | 0 | 0 | aromatic ether; hydroxycoumarin | antineoplastic agent; antiviral agent; metabolite |
costunolide | [no description available] | low | 0 | 0 | germacranolide; heterobicyclic compound | anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite |
eupatolide | [no description available] | low | 0 | 0 | gamma-lactone; germacranolide; homoallylic alcohol; secondary alcohol | antineoplastic agent; plant metabolite |
oleuropein | [no description available] | low | 0 | 0 | beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside | anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger |
agathisflavone | [no description available] | low | 0 | 0 | biaryl; biflavonoid; hydroxyflavone | antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite |
hinokiflavone | [no description available] | low | 0 | 0 | aromatic ether; biflavonoid; hydroxyflavone | antineoplastic agent; metabolite; neuroprotective agent |
hispidulin | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
gartanin | [no description available] | low | 0 | 0 | polyphenol; xanthones | antineoplastic agent; plant metabolite |
norathyriol | [no description available] | low | 0 | 0 | polyphenol; xanthones | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite |
morusin | [no description available] | low | 0 | 0 | extended flavonoid; trihydroxyflavone | antineoplastic agent; plant metabolite |
robustaflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | anti-HBV agent; antineoplastic agent; antioxidant; metabolite |
tricetin | [no description available] | low | 0 | 0 | pentahydroxyflavone | antineoplastic agent; metabolite |
astringin | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | antineoplastic agent; antioxidant; metabolite |
irilone | [no description available] | low | 0 | 0 | hydroxyisoflavone; organic heterotricyclic compound; oxacycle | antineoplastic agent; immunomodulator; metabolite |
tectochrysin | [no description available] | low | 0 | 0 | monohydroxyflavone; monomethoxyflavone | antidiarrhoeal drug; antineoplastic agent; plant metabolite |
plaunotol | [no description available] | low | 0 | 0 | diterpenoid; primary alcohol | anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary |
tranilast | [no description available] | low | 0 | 0 | amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide | anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent |
tocotrienol, beta | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | antineoplastic agent; apoptosis inducer; plant metabolite |
gamma-tocotrienol | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | antineoplastic agent; antioxidant; apoptosis inducer; hepatoprotective agent; plant metabolite; radiation protective agent |
tocotrienol, delta | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite |
4'-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones; phenols | anti-inflammatory agent; antineoplastic agent |
9,11-linoleic acid | [no description available] | low | 0 | 0 | octadeca-9,11-dienoic acid | anti-inflammatory agent; antiatherogenic agent; antineoplastic agent; apoptosis inducer; bacterial xenobiotic metabolite; human metabolite |
camostat mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
3',4',7-trihydroxyisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
alvocidib | [no description available] | low | 0 | 0 | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
fenretinide | [no description available] | low | 0 | 0 | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
4-oxoretinol | [no description available] | low | 0 | 0 | cyclic ketone; enone; primary allylic alcohol; retinoid | antineoplastic agent |
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | [no description available] | low | 0 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent; retinoic acid receptor agonist; teratogenic agent |
centaureidin | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite |
3,3'-di-o-methylquercetin | [no description available] | low | 0 | 0 | 3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone | antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite |
ethyl caffeate | [no description available] | low | 0 | 0 | alkyl caffeate ester; ethyl ester; hydroxycinnamic acid | anti-inflammatory agent; antineoplastic agent; metabolite |
isoginkgetin | [no description available] | low | 0 | 0 | aromatic ether; biflavonoid | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite |
cudraflavone c | [no description available] | low | 0 | 0 | tetrahydroxyflavone | antibacterial agent; antineoplastic agent; plant metabolite |
neobavaisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; plant metabolite; platelet aggregation inhibitor |
neoglycyrol | [no description available] | low | 0 | 0 | aromatic ether; coumestans; delta-lactone; polyphenol | antineoplastic agent; plant metabolite |
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | low | 0 | 0 | dihydroxyflavone; monomethoxyflavone | antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor |
spiraeoside | [no description available] | low | 0 | 0 | beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; plant metabolite |
rhamnazin | [no description available] | low | 0 | 0 | aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone | antineoplastic agent; plant metabolite |
oridonin | [no description available] | low | 0 | 0 | cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol | angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite |
pd 166866 | [no description available] | low | 0 | 0 | biaryl; dimethoxybenzene; primary arylamine; pyridopyrimidine; ureas | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
bosutinib | [no description available] | low | 0 | 0 | aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
semaxinib | [no description available] | low | 0 | 0 | olefinic compound; oxindoles; pyrroles | angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
su 11248 | [no description available] | low | 0 | 0 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist |
palbociclib | [no description available] | low | 0 | 0 | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
mitoguazone | [no description available] | low | 0 | 0 | guanidines; hydrazone | antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor |
ergosterol-5,8-peroxide | [no description available] | low | 0 | 0 | 3beta-sterol; ergostanoid; organic peroxide; phytosterols | antimycobacterial drug; antineoplastic agent; metabolite; trypanocidal drug |
ermanin | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | anti-inflammatory agent; antimycobacterial drug; antineoplastic agent; apoptosis inducer; plant metabolite |
romidepsin | [no description available] | low | 0 | 0 | cyclodepsipeptide; heterocyclic antibiotic; organic disulfide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
sulindac sulfide | [no description available] | low | 0 | 0 | aryl sulfide; monocarboxylic acid; organofluorine compound | antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug |
bay 11-7085 | [no description available] | low | 0 | 0 | benzenes; nitrile; sulfone | anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor |
macluraxanthone b | [no description available] | low | 0 | 0 | phenols; xanthones | anti-HIV agent; antineoplastic agent; metabolite |
tamsulosin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | alpha-adrenergic antagonist; antineoplastic agent |
batimastat | [no description available] | low | 0 | 0 | hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor |
glyceryl behenate | [no description available] | low | 0 | 0 | 1-monoglyceride; fatty acid ester | antineoplastic agent; plant metabolite |
jaceosidin | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite |
5,7,3'-trihydroxy-3,4'-dimethoxyflavone | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | antineoplastic agent; metabolite |
pederin | [no description available] | low | 0 | 0 | cyclic ketal; diol; oxanes; polyketide; secondary alcohol; secondary carboxamide | antimitotic; antineoplastic agent; bacterial metabolite; vesicant |
artocarpin lectin | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; metabolite |
cisplatin | [no description available] | low | 0 | 0 | diamminedichloroplatinum | antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent |
beta-aminopropionitrile fumarate (2:1) | [no description available] | low | 0 | 0 | fumarate salt | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
gamma-mangostin | [no description available] | low | 0 | 0 | phenols; xanthones | antineoplastic agent; plant metabolite; protein kinase inhibitor |
demethoxycurcumin | [no description available] | low | 0 | 0 | beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antineoplastic agent; metabolite |
cystothiazole a | [no description available] | low | 0 | 0 | 1,3-thiazoles; biaryl; enoate ester; enol ether; methyl ester; organonitrogen heterocyclic antibiotic | antifungal agent; antineoplastic agent; bacterial metabolite |
lespenefril | [no description available] | low | 0 | 0 | alpha-L-rhamnoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative; polyphenol | anti-inflammatory agent; antidepressant; antineoplastic agent; apoptosis inducer; bone density conservation agent; hypoglycemic agent; immunomodulator; plant metabolite |
baohuoside i | [no description available] | low | 0 | 0 | glycosyloxyflavone | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite |
arglabin | [no description available] | low | 0 | 0 | epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone | antineoplastic agent; metabolite |
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one | [no description available] | low | 0 | 0 | enone; pyridines | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor |
ma-1 | [no description available] | low | 0 | 0 | carboxamidine; organochlorine compound; pyrimidone; pyrrolidines | antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor |
apratoxin a | [no description available] | low | 0 | 0 | 1,3-thiazoles; apratoxin | antineoplastic agent; metabolite |
coronardine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | antileishmanial agent; antineoplastic agent; apoptosis inducer; plant metabolite |
ascofuranone | [no description available] | low | 0 | 0 | dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone | angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite |
columbianadin | [no description available] | low | 0 | 0 | alpha,beta-unsaturated carboxylic ester; furanocoumarin | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite |
rhizoxin | [no description available] | low | 0 | 0 | 1,3-oxazoles; epoxide; macrolide antibiotic | antimitotic; antineoplastic agent; metabolite |
sibiromycin | [no description available] | low | 0 | 0 | aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine | antineoplastic agent; bacterial metabolite |
bryostatin 2 | [no description available] | low | 0 | 0 | bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol | antineoplastic agent; marine metabolite; protein kinase C agonist |
everolimus | [no description available] | low | 0 | 0 | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor |
13(S)-HODE | [no description available] | low | 0 | 0 | HODE | antineoplastic agent; human xenobiotic metabolite; mouse metabolite |
ixabepilone | [no description available] | low | 0 | 0 | 1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle | antineoplastic agent; microtubule-destabilising agent |
salvianolic acid B | [no description available] | low | 0 | 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 |
l 744832 | [no description available] | low | 0 | 0 | benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector |
sophoraflavanone a | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone | antibacterial agent; antineoplastic agent; metabolite |
tanespimycin | [no description available] | low | 0 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
manzamine a | [no description available] | low | 0 | 0 | alkaloid; beta-carbolines; isoquinolines | animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite |
aureothin | [no description available] | low | 0 | 0 | 4-pyranones; C-nitro compound; ketene acetal; olefinic compound; oxolanes | antibacterial agent; antifungal agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor |
fostriecin | [no description available] | low | 0 | 0 | 2-pyranones; olefinic compound; phosphate monoester; polyketide; primary allylic alcohol; secondary allylic alcohol; triol | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; topoisomerase II inhibitor |
ru 58668 | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone | anti-estrogen; antineoplastic agent; estrogen receptor antagonist |
soblidotin | [no description available] | low | 0 | 0 | tetrapeptide | antineoplastic agent; apoptosis inducer; microtubule-destabilising agent |
beta-elemene | [no description available] | low | 0 | 0 | beta-elemene | antineoplastic agent |
laulimalide | [no description available] | low | 0 | 0 | carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol | animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent |
jwh-133 | [no description available] | low | 0 | 0 | benzochromene; dibenzopyran; organic heterotricyclic compound | analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent |
belinostat | [no description available] | low | 0 | 0 | hydroxamic acid; olefinic compound; sulfonamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
on 01910 | [no description available] | low | 0 | 0 | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine | antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent |
panobinostat | [no description available] | low | 0 | 0 | cinnamamides; hydroxamic acid; methylindole; secondary amino compound | angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
bml 210 | [no description available] | low | 0 | 0 | dicarboxylic acid diamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
rhosin | [no description available] | low | 0 | 0 | D-tryptophan derivative; hydrazone; quinoxaline derivative | antineoplastic agent; RhoA inhibitor; RhoC inhibitor |
s-allylcysteine | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine | antineoplastic agent; metabolite |
2-hydroxy-9-cis-octadecenoic acid | [no description available] | low | 0 | 0 | 2-hydroxy fatty acid; hydroxy monounsaturated fatty acid; long-chain fatty acid | antihypertensive agent; antineoplastic agent; apoptosis inducer |
dolastatin 10 | [no description available] | low | 0 | 0 | 1,3-thiazoles; tetrapeptide | animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent |
plitidepsin | [no description available] | low | 0 | 0 | didemnin | anticoronaviral agent; antineoplastic agent; marine metabolite |
abiraterone acetate | [no description available] | low | 0 | 0 | pyridines; sterol ester | antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug |
lenvatinib | [no description available] | low | 0 | 0 | aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist |
nsc 716970 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound | antineoplastic agent |
pd 0325901 | [no description available] | low | 0 | 0 | difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound | antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
midostaurin | [no description available] | low | 0 | 0 | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
jasplakinolide | [no description available] | low | 0 | 0 | cyclodepsipeptide; phenols | actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent |
muromonab-cd3 | [no description available] | low | 0 | 0 | alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite |
ginsenoside m1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; hepatoprotective agent; plant metabolite |
cabazitaxel | [no description available] | low | 0 | 0 | tetracyclic diterpenoid | antineoplastic agent; microtubule-stabilising agent |
elisidepsin | [no description available] | low | 0 | 0 | cyclodepsipeptide | antineoplastic agent |
fr 148083 | [no description available] | low | 0 | 0 | aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor |
tln 4601 | [no description available] | low | 0 | 0 | dibenzodiazepine; farnesane sesquiterpenoid; olefinic compound; secondary amine; triol | antineoplastic agent; antioxidant; cathepsin L (EC 3.4.22.15) inhibitor |
scio-469 | [no description available] | low | 0 | 0 | aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
cp 724714 | [no description available] | low | 0 | 0 | 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent |
9-methoxycanthin-6-one | [no description available] | low | 0 | 0 | aromatic ether; indole alkaloid; organic heterotetracyclic compound | antineoplastic agent; antiplasmodial drug; metabolite |
pi103 | [no description available] | low | 0 | 0 | aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
5-chloro-6-(1-(2-iminopyrrolidinyl) methyl)uracil hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; iminium salt | antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor |
fty 720p | [no description available] | low | 0 | 0 | monoalkyl phosphate; primary alcohol; primary amino compound | antineoplastic agent; immunosuppressive agent; sphingosine-1-phosphate receptor agonist |
hmr 1275 | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
zm 447439 | [no description available] | low | 0 | 0 | aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor |
hki 272 | [no description available] | low | 0 | 0 | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
ginsenoside f2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; plant metabolite |
ginsenoside rg3 | [no description available] | low | 0 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite |
es-285 | [no description available] | low | 0 | 0 | amino alcohol; sphingoid | antineoplastic agent |
hypothemycin | [no description available] | low | 0 | 0 | aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone | antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite |
rucaparib | [no description available] | low | 0 | 0 | azepinoindole; caprolactams; organofluorine compound; secondary amino compound | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
jte 607 | [no description available] | low | 0 | 0 | hydrochloride | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; CPSF3 inhibitor; prodrug |
pasireotide | [no description available] | low | 0 | 0 | homodetic cyclic peptide; peptide hormone | antineoplastic agent |
npi 2358 | [no description available] | low | 0 | 0 | 2,5-diketopiperazines; benzenes; imidazoles; olefinic compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent |
rubraxanthone | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | antibacterial agent; antineoplastic agent; metabolite |
NNC 55-0396 (free base) | [no description available] | low | 0 | 0 | benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker |
sr 11302 | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; retinoid; toluenes | antineoplastic agent; AP-1 antagonist |
sch 51344 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound | antineoplastic agent |
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 3-oxo steroid; 7-oxo steroid; ergostanoid; monocarboxylic acid; steroid acid | anti-inflammatory agent; antineoplastic agent; plant metabolite |
osu 03012 | [no description available] | low | 0 | 0 | antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles | antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
ly2090314 | [no description available] | low | 0 | 0 | diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
cerberin | [no description available] | low | 0 | 0 | acetate ester; cardenolide glycoside; monosaccharide derivative | antineoplastic agent; metabolite |
pateamine a | [no description available] | low | 0 | 0 | 1,3-thiazoles; macrodiolide; olefinic compound; primary amino compound; tertiary amino compound | antineoplastic agent; antiviral agent; eukaryotic initiation factor 4F inhibitor; marine metabolite |
6-hydroxytaxol | [no description available] | low | 0 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent |
masitinib | [no description available] | low | 0 | 0 | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor |
avenanthramide b | [no description available] | low | 0 | 0 | amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide | antineoplastic agent; apoptosis inducer; phytoalexin |
ageladine a | [no description available] | low | 0 | 0 | alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite |
ly-2157299 | [no description available] | low | 0 | 0 | aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines | antineoplastic agent; TGFbeta receptor antagonist |
pazopanib | [no description available] | low | 0 | 0 | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
azd 6244 | [no description available] | low | 0 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
azd2858 | [no description available] | low | 0 | 0 | aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide | antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
bibw 2992 | [no description available] | low | 0 | 0 | aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
bl1521 | [no description available] | low | 0 | 0 | enamide; hydroxamic acid; monocarboxylic acid amide | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
jte 013 | [no description available] | low | 0 | 0 | chloropyridine; pyrazolopyridine | anti-asthmatic agent; anti-inflammatory agent; antineoplastic agent; osteogenesis regulator; pro-angiogenic agent; sphingosine-1-phosphate receptor 2 antagonist |
holomycin | [no description available] | low | 0 | 0 | acetamides; dithiolopyrrolone antibiotic | antibacterial agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite |
binimetinib | [no description available] | low | 0 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
aee 788 | [no description available] | low | 0 | 0 | 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug |
saracatinib | [no description available] | low | 0 | 0 | aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound | anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent |
crenolanib | [no description available] | low | 0 | 0 | aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
trilobacin | [no description available] | low | 0 | 0 | butenolide; polyketide; triol | antineoplastic agent; plant metabolite |
manassantin b | [no description available] | low | 0 | 0 | benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol | antineoplastic agent; metabolite |
pha 665752 | [no description available] | low | 0 | 0 | dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide | antineoplastic agent; c-Met tyrosine kinase inhibitor |
PB28 | [no description available] | low | 0 | 0 | aromatic ether; piperazines; tetralins | anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist |
vinflunine | [no description available] | low | 0 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid | antineoplastic agent |
homocamptothecin | [no description available] | low | 0 | 0 | epsilon-lactone; organic heteropentacyclic compound; organonitrogen heterocyclic compound; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol | antineoplastic agent; metabolite |
jaspamide b | [no description available] | low | 0 | 0 | cyclodepsipeptide; organobromine compound | animal metabolite; antineoplastic agent; marine metabolite |
ossamycin | [no description available] | low | 0 | 0 | cyclic hemiketal; macrolide antibiotic; organic heterotetracyclic compound; secondary alcohol; spiroketal; tertiary alcohol | antineoplastic agent; bacterial metabolite |
nigranoic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; tetracyclic triterpenoid | antineoplastic agent; HIV-1 reverse transcriptase inhibitor; metabolite |
esculeoside a | [no description available] | low | 0 | 0 | azaspiro compound; oxaspiro compound; saponin; steroid alkaloid; steroid saponin | antineoplastic agent; metabolite |
azadirone | [no description available] | low | 0 | 0 | acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid | antineoplastic agent; antiplasmodial drug; plant metabolite |
iejimalide b | [no description available] | low | 0 | 0 | ether; formamides; macrolide | antineoplastic agent; marine metabolite |
migrastatin | [no description available] | low | 0 | 0 | ether; macrolide antibiotic; piperidones; secondary alcohol | antineoplastic agent; metabolite |
cembra-2,7,11-triene-4,6-diol | [no description available] | low | 0 | 0 | cembrane diterpenoid | antineoplastic agent |
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one | [no description available] | low | 0 | 0 | polyphenol; xanthones | anti-inflammatory agent; antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite |
regorafenib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor |
at 7867 | [no description available] | low | 0 | 0 | monochlorobenzenes; piperidines; pyrazoles | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
ym 155 | [no description available] | low | 0 | 0 | organic bromide salt | antineoplastic agent; apoptosis inducer; survivin suppressant |
bielschowskysin | [no description available] | low | 0 | 0 | acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound | antimalarial; antineoplastic agent; metabolite |
erastin | [no description available] | low | 0 | 0 | aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide | antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor |
abt-737 | [no description available] | low | 0 | 0 | aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
brivanib | [no description available] | low | 0 | 0 | aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist |
rx-3117 | [no description available] | low | 0 | 0 | organofluorine compound; primary allylic alcohol; triol | antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug |
ascochlorin | [no description available] | low | 0 | 0 | cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid | angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite |
spiculoic acid a | [no description available] | low | 0 | 0 | carbobicyclic compound; cyclic ketone; oxo monocarboxylic acid; styrenes | antineoplastic agent; metabolite |
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide | [no description available] | low | 0 | 0 | D-valine derivative; hydroxamic acid | antineoplastic agent; autophagy inducer; EC 3.4.24.24 (gelatinase A) inhibitor; melanin synthesis inhibitor |
at 7519 | [no description available] | low | 0 | 0 | dichlorobenzene; piperidines; pyrazoles; secondary carboxamide | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
ym 216391 | [no description available] | low | 0 | 0 | 1,3-oxazoles; 1,3-thiazoles; azamacrocycle; benzenes; heterodetic cyclic peptide | antineoplastic agent; bacterial metabolite |
marizomib | [no description available] | low | 0 | 0 | beta-lactone; gamma-lactam; organic heterobicyclic compound; organochlorine compound; salinosporamide | antineoplastic agent; proteasome inhibitor |
er-086526 | [no description available] | low | 0 | 0 | cyclic ketal; cyclic ketone; macrocycle; polycyclic ether; polyether; primary amino compound | antineoplastic agent; microtubule-destabilising agent |
obolactone | [no description available] | low | 0 | 0 | 2-pyranones; 4-pyranones | antineoplastic agent; plant metabolite |
episilvestrol | [no description available] | low | 0 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
abt 869 | [no description available] | low | 0 | 0 | aromatic amine; indazoles; phenylureas | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
azd 1152 | [no description available] | low | 0 | 0 | anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor; prodrug |
pf 00299804 | [no description available] | low | 0 | 0 | enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
ki11502 | [no description available] | low | 0 | 0 | aromatic ether; benzamides; quinolines; thioureas | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
carfilzomib | [no description available] | low | 0 | 0 | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor |
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | [no description available] | low | 0 | 0 | aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
idelalisib | [no description available] | low | 0 | 0 | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
crizotinib | [no description available] | low | 0 | 0 | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
zstk474 | [no description available] | low | 0 | 0 | benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
trametinib | [no description available] | low | 0 | 0 | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
lyoniresinol | [no description available] | low | 0 | 0 | dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins | antineoplastic agent; metabolite |
GDC-0879 | [no description available] | low | 0 | 0 | indanes; ketoxime; primary alcohol; pyrazoles; pyridines | antineoplastic agent; B-Raf inhibitor |
amrubicinol | [no description available] | low | 0 | 0 | diastereoisomeric mixture; quinone; secondary alcohol; tetracenes | antineoplastic agent; apoptosis inducer; topoisomerase II inhibitor |
silvestrol | [no description available] | low | 0 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
at 13387 | [no description available] | low | 0 | 0 | benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide | antineoplastic agent; Hsp90 inhibitor |
dactolisib | [no description available] | low | 0 | 0 | imidazoquinoline; nitrile; quinolines; ring assembly; ureas | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
bgt226 | [no description available] | low | 0 | 0 | aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
2'-methoxykurarinone | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; dihydroxyflavanone; dimethoxyflavanone | antineoplastic agent; metabolite |
gedunin | [no description available] | low | 0 | 0 | acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid | antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite |
monascin | [no description available] | low | 0 | 0 | alpha,beta-unsaturated ketone; gamma-lactone; organic heterotricyclic compound; polyketide | antilipemic drug; antineoplastic agent; fungal metabolite; PPARgamma agonist |
monascorubrin | [no description available] | low | 0 | 0 | azaphilone; enone; gamma-lactone; polyketide; triketone | anti-inflammatory agent; antineoplastic agent; biological pigment; food colouring; fungal metabolite; Hsp90 inhibitor |
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one | [no description available] | low | 0 | 0 | alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound | anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite |
SYC-435 | [no description available] | low | 0 | 0 | benzenes; cyclic hydroxamic acid; pyridone | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
ligstroside | [no description available] | low | 0 | 0 | beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside | antineoplastic agent; plant metabolite |
mogrol | [no description available] | low | 0 | 0 | hydroxy seco-steroid; tetracyclic triterpenoid | antineoplastic agent |
simalikalactone D | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol | antimalarial; antineoplastic agent; antiviral agent; metabolite |
4-methyl-5-pentylbenzene-1,3-diol | [no description available] | low | 0 | 0 | resorcinols | antineoplastic agent |
mdv 3100 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound | androgen antagonist; antineoplastic agent |
azd 1152-hqpa | [no description available] | low | 0 | 0 | anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor |
adonixanthin | [no description available] | low | 0 | 0 | carotenone; cyclic ketone; secondary alcohol | algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite |
schweinfurthin g | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | antineoplastic agent; metabolite |
abarelix | [no description available] | low | 0 | 0 | polypeptide | antineoplastic agent; hormone antagonist |
forapin | [no description available] | low | 0 | 0 | peptidyl amide; polypeptide | animal metabolite; antineoplastic agent; apoptosis inducer; EC 2.7.11.13 (protein kinase C) inhibitor; hepatoprotective agent; neuroprotective agent; venom |
gastrin 17 | [no description available] | low | 0 | 0 | gastrin | antineoplastic agent |
gdc-0973 | [no description available] | low | 0 | 0 | aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
buparlisib | [no description available] | low | 0 | 0 | aminopyridine; aminopyrimidine; morpholines; organofluorine compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
tubocapsanolide a | [no description available] | low | 0 | 0 | 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; withanolide | antineoplastic agent; NF-kappaB inhibitor |
ro5126766 | [no description available] | low | 0 | 0 | aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
pevonedistat | [no description available] | low | 0 | 0 | cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate | antineoplastic agent; apoptosis inducer |
tg101209 | [no description available] | low | 0 | 0 | N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
gsk690693 | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
cnf 2024 | [no description available] | low | 0 | 0 | 2-aminopurines; aromatic ether; organochlorine compound; pyridines | antineoplastic agent; Hsp90 inhibitor |
ku 0063794 | [no description available] | low | 0 | 0 | benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; mTOR inhibitor |
sm 164 | [no description available] | low | 0 | 0 | benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; radiosensitizing agent |
berkeleydione | [no description available] | low | 0 | 0 | beta-diketone; cyclic terpene ketone; meroterpenoid; methyl ester; organic heterotetracyclic compound; terpene lactone; tertiary alcohol; tertiary alpha-hydroxy ketone | antineoplastic agent; cysteine protease inhibitor; Penicillium metabolite |
lucidenic acid n | [no description available] | low | 0 | 0 | cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid | antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite |
bromophycolide a | [no description available] | low | 0 | 0 | diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol | anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite |
nnc 55-0396 | [no description available] | low | 0 | 0 | hydrochloride | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker |
meclofenamate sodium anhydrous | [no description available] | low | 0 | 0 | hydrate | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
brequinar sodium | [no description available] | low | 0 | 0 | organic sodium salt | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor |
olaparib | [no description available] | low | 0 | 0 | cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
plx 4720 | [no description available] | low | 0 | 0 | aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
lcl161 | [no description available] | low | 0 | 0 | 1,3-thiazoles; aromatic ketone; L-alanine derivative; monofluorobenzenes; N-acylpyrrolidine | antineoplastic agent; apoptosis inducer |
aspergillide b | [no description available] | low | 0 | 0 | bridged compound; cyclic ether; macrolide; secondary alcohol | antineoplastic agent; Aspergillus metabolite |
tenovin-6 | [no description available] | low | 0 | 0 | monocarboxylic acid amide; tertiary amino compound; thioureas | antineoplastic agent; p53 activator; Sir2 inhibitor |
lde225 | [no description available] | low | 0 | 0 | aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist |
gdc 0449 | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; pyridines; sulfone | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent |
bms 754807 | [no description available] | low | 0 | 0 | pyrazoles; pyridines; pyrrolidines; pyrrolotriazine | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
delanzomib | [no description available] | low | 0 | 0 | C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative | antineoplastic agent; apoptosis inducer; proteasome inhibitor |
grassypeptolide | [no description available] | low | 0 | 0 | cyclodepsipeptide; macrocycle | antineoplastic agent; metabolite |
pci 32765 | [no description available] | low | 0 | 0 | acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
ponatinib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor |
spiruchostatin b | [no description available] | low | 0 | 0 | macrocyclic lactone; organic disulfide; organic heterobicyclic compound; spiruchostatin | antineoplastic agent; bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor |
AMG-208 | [no description available] | low | 0 | 0 | aromatic ether; quinolines; triazolopyridazine | antineoplastic agent; c-Met tyrosine kinase inhibitor |
sch772984 | [no description available] | low | 0 | 0 | biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide | analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
papuamide b | [no description available] | low | 0 | 0 | cyclodepsipeptide; olefinic compound; secondary alcohol; tertiary alcohol | anti-HIV-1 agent; antineoplastic agent; marine metabolite |
antroquinonol d | [no description available] | low | 0 | 0 | enol ether; enone; secondary alcohol | antineoplastic agent; fungal metabolite |
quizartinib | [no description available] | low | 0 | 0 | benzoimidazothiazole; isoxazoles; morpholines; phenylureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor |
6-methoxyspirotryprostatin b | [no description available] | low | 0 | 0 | aromatic ether; azaspiro compound; indole alkaloid; indolones | antineoplastic agent; Aspergillus metabolite |
PP121 | [no description available] | low | 0 | 0 | aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor |
niraparib | [no description available] | low | 0 | 0 | benzenes; indazoles; piperidines; primary carboxamide | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
niraparib | [no description available] | low | 0 | 0 | 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent |
navitoclax | [no description available] | low | 0 | 0 | aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
lucitanib | [no description available] | low | 0 | 0 | aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines | antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist |
chondramide c | [no description available] | low | 0 | 0 | chondramide; indoles; phenols | antineoplastic agent; bacterial metabolite |
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | [no description available] | low | 0 | 0 | aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound | anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
cetrorelix | [no description available] | low | 0 | 0 | oligopeptide | antineoplastic agent; GnRH antagonist |
histrelin | [no description available] | low | 0 | 0 | oligopeptide | antineoplastic agent; gonadotropin releasing hormone agonist |
cabozantinib | [no description available] | low | 0 | 0 | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
salvileucalin b | [no description available] | low | 0 | 0 | bridged compound; diterpenoid; furans; gamma-lactone | antineoplastic agent; metabolite |
incb-018424 | [no description available] | low | 0 | 0 | nitrile; pyrazoles; pyrrolopyrimidine | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
poziotinib | [no description available] | low | 0 | 0 | acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist |
asp3026 | [no description available] | low | 0 | 0 | aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone | antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor |
entrectinib | [no description available] | low | 0 | 0 | benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide | antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
pexidartinib | [no description available] | low | 0 | 0 | aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
TAK-580 | [no description available] | low | 0 | 0 | 1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor |
glasdegib | [no description available] | low | 0 | 0 | benzimidazoles; nitrile; phenylureas; piperidines | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist |
gsk 2126458 | [no description available] | low | 0 | 0 | aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide | anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent |
ixazomib | [no description available] | low | 0 | 0 | benzamides; boronic acids; dichlorobenzene; glycine derivative | antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor |
cx 5461 | [no description available] | low | 0 | 0 | diazepine; naphthyridine derivative; organic heterotetracyclic compound; pyrazines; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.7.6 (RNA polymerase) inhibitor |
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | [no description available] | low | 0 | 0 | benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; apoptosis inducer; mTOR inhibitor |
plx4032 | [no description available] | low | 0 | 0 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
GDC-0623 | [no description available] | low | 0 | 0 | hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
INDY | [no description available] | low | 0 | 0 | benzothiazoles; enone; organic hydroxy compound | antineoplastic agent; drug metabolite; EC 2.7.12.1 (dual-specificity kinase) inhibitor |
7,8-dihydroxyflavanone | [no description available] | low | 0 | 0 | dihydroxyflavanone | antineoplastic agent; metabolite |
dabrafenib | [no description available] | low | 0 | 0 | 1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide | anticoronaviral agent; antineoplastic agent; B-Raf inhibitor |
cblc137 | [no description available] | low | 0 | 0 | aromatic ketone; carbazoles; methyl ketone; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; NF-kappaB inhibitor; p53 activator |
2,3-dihydro-3beta-O-sulfate withaferin A | [no description available] | low | 0 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide | antineoplastic agent; metabolite; plant metabolite |
leachianone a | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antimalarial; antineoplastic agent; metabolite |
thiopental sodium | [no description available] | low | 0 | 0 | organochlorine compound; piperazines; pyrimidines | antineoplastic agent; tyrosine kinase inhibitor |
EG00229 | [no description available] | low | 0 | 0 | benzothiadiazole; dicarboxylic acid monoamide; L-arginine derivative; secondary carboxamide; sulfonamide; thiophenes | angiogenesis inhibitor; antineoplastic agent; neuropilin receptor antagonist |
jadomycin b | [no description available] | low | 0 | 0 | glycoside; jadomycin; organic heteropentacyclic compound | antibacterial agent; antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor; bacterial metabolite |
tak-632 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor |
chondramide a | [no description available] | low | 0 | 0 | chondramide; indoles; phenols | antineoplastic agent; bacterial metabolite |
englerin a | [no description available] | low | 0 | 0 | cinnamate ester; glycolate ester; guaiane sesquiterpenoid | antineoplastic agent; metabolite |
lrrk2-in1 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
jq1 compound | [no description available] | low | 0 | 0 | carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer |
ML-210 | [no description available] | low | 0 | 0 | C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide | antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug |
eurycomanone | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol | antimalarial; antineoplastic agent; metabolite |
gilteritinib | [no description available] | low | 0 | 0 | aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
alectinib | [no description available] | low | 0 | 0 | aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
ML240 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound | antineoplastic agent |
torin 1 | [no description available] | low | 0 | 0 | N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines | antineoplastic agent; mTOR inhibitor |
pracinostat | [no description available] | low | 0 | 0 | benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound | antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
physalin f | [no description available] | low | 0 | 0 | enone; epoxy steroid; lactone; physalin | antileishmanial agent; antimalarial; antineoplastic agent; apoptosis inducer; immunosuppressive agent |
xl765 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
DMH1 | [no description available] | low | 0 | 0 | aromatic ether; pyrazolopyrimidine; quinolines | antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor |
torin 2 | [no description available] | low | 0 | 0 | aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline | antineoplastic agent; mTOR inhibitor |
oligomycin a | [no description available] | low | 0 | 0 | antibiotic antifungal agent; diketone; oligomycin; pentol | antineoplastic agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; nematicide |
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea | [no description available] | low | 0 | 0 | aminopyrimidine; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas | antineoplastic agent; fibroblast growth factor receptor antagonist |
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; secondary alpha-hydroxy ketone; steroid acid | antineoplastic agent; metabolite |
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid | antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist |
chir 98014 | [no description available] | low | 0 | 0 | aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator |
gsk2656157 | [no description available] | low | 0 | 0 | biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor |
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide | [no description available] | low | 0 | 0 | acetamides; hydroxyindoles; tryptamines | antineoplastic agent; apoptosis inducer; plant metabolite |
lfm a13 | [no description available] | low | 0 | 0 | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor |
AZD3463 | [no description available] | low | 0 | 0 | aminopiperidine; aminopyrimidine; indoles; monomethoxybenzene; organochlorine compound; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
calicheamicin gamma(1)i | [no description available] | low | 0 | 0 | calicheamicin; enediyne antibiotic; organoiodine compound | antineoplastic agent; metabolite |
asperfuranone | [no description available] | low | 0 | 0 | 2-benzofurans; cyclic ketone; diol; polyketide; secondary alcohol; tertiary alcohol; tertiary alpha-hydroxy ketone | antineoplastic agent; fungal metabolite |
ceritinib | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
pelabresib | [no description available] | low | 0 | 0 | monochlorobenzenes; organic heterotricyclic compound; primary carboxamide | antineoplastic agent; bromodomain-containing protein 4 inhibitor |
MK-8353 | [no description available] | low | 0 | 0 | aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
gsk2879552 | [no description available] | low | 0 | 0 | benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor |
ssr128129e | [no description available] | low | 0 | 0 | organic sodium salt | antineoplastic agent; fibroblast growth factor receptor antagonist |
aspergillide a | [no description available] | low | 0 | 0 | bridged compound; cyclic ether; macrolide; secondary alcohol | antineoplastic agent; Aspergillus metabolite |
capilliposide b | [no description available] | low | 0 | 0 | alpha-L-arabinopyranoside; bridged compound; cyclic ether; diol; hexacyclic triterpenoid; hexanoate ester; lactol; secondary alcohol; tetrasaccharide derivative; triterpenoid saponin | antineoplastic agent; plant metabolite |
surfactin A | [no description available] | low | 0 | 0 | cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone | antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; surfactant |
acp-196 | [no description available] | low | 0 | 0 | aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
gsk343 | [no description available] | low | 0 | 0 | aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
myriaporone 3 | [no description available] | low | 0 | 0 | beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol | antineoplastic agent; metabolite |
GSK1059615 | [no description available] | low | 0 | 0 | pyridines; quinolines; thiazolidinone | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
osimertinib | [no description available] | low | 0 | 0 | acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
ivosidenib | [no description available] | low | 0 | 0 | cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
ly3009120 | [no description available] | low | 0 | 0 | aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor |
pf-06463922 | [no description available] | low | 0 | 0 | aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
as 1842856 | [no description available] | low | 0 | 0 | organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound | anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent |
physalin d | [no description available] | low | 0 | 0 | 5alpha-hydroxy steroid; 6beta-hydroxy steroid; cyclic ether; enone; lactone; organic heteroheptacyclic compound; physalin | antimalarial; antimycobacterial drug; antineoplastic agent |
acarbose | [no description available] | low | 0 | 0 | chondramide; indoles; organochlorine compound; phenols | antineoplastic agent; bacterial metabolite |
sr9243 | [no description available] | low | 0 | 0 | bromobenzenes; sulfonamide; sulfone | antineoplastic agent; apoptosis inducer; liver X receptor inverse agonist |
CCT251545 | [no description available] | low | 0 | 0 | azaspiro compound; chloropyridine; pyrazoles | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor |
ldc4297 | [no description available] | low | 0 | 0 | aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound | antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
hg-9-91-01 | [no description available] | low | 0 | 0 | aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound | antineoplastic agent; salt-inducible kinase 2 inhibitor |
cigb-300 | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; polypeptide | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
chondramide d | [no description available] | low | 0 | 0 | chondramide; indoles; phenols | antineoplastic agent; bacterial metabolite |
bassianolide | [no description available] | low | 0 | 0 | cyclodepsipeptide; cyclooctadepsipeptide | antineoplastic agent; fungal metabolite; insecticide |
enasidenib | [no description available] | low | 0 | 0 | 1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
BDA-366 | [no description available] | low | 0 | 0 | anthraquinone; epoxide; secondary alcohol; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer |
ebc-46 | [no description available] | low | 0 | 0 | diester; diterpenoid; organic heteropentacyclic compound; phorbol ester | antineoplastic agent; plant metabolite; protein kinase C agonist |
THZ531 | [no description available] | low | 0 | 0 | aminopyrimidine; enamide; indoles; N-acylpiperidine; organochlorine compound; secondary amino compound; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
can 508 | [no description available] | low | 0 | 0 | aromatic amine; monoazo compound; phenols; pyrazoles | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
levoleucovorin | [no description available] | low | 0 | 0 | 5-formyltetrahydrofolic acid | antineoplastic agent; metabolite |
azaguanine | [no description available] | low | 0 | 0 | nucleobase analogue; triazolopyrimidines | antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
pemetrexed | [no description available] | low | 0 | 0 | N-acyl-L-glutamic acid; pyrrolopyrimidine | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
tirapazamine | [no description available] | low | 0 | 0 | aromatic amine; benzotriazines; N-oxide | antibacterial agent; antineoplastic agent; apoptosis inducer |
MMP-9-IN-1 | [no description available] | low | 0 | 0 | aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor |
hydrazinocurcumin | [no description available] | low | 0 | 0 | aromatic ether; olefinic compound; polyphenol; pyrazoles | angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
9-arabinofuranosylguanine | [no description available] | low | 0 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor |
cerulomycin | [no description available] | low | 0 | 0 | aldoxime; aromatic ether; bipyridines; pyridine alkaloid | antineoplastic agent; bacterial metabolite; marine metabolite |
undecylprodigiosin | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; tripyrrole | antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent |
ver 52296 | [no description available] | low | 0 | 0 | aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols | angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor |
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile | [no description available] | low | 0 | 0 | hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor |
XL413 | [no description available] | low | 0 | 0 | benzofuropyrimidine; organochlorine compound; pyrrolidines | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
pp242 | [no description available] | low | 0 | 0 | aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine | antineoplastic agent; mTOR inhibitor |
marineosin a | [no description available] | low | 0 | 0 | azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles | antineoplastic agent; metabolite |
marineosin b | [no description available] | low | 0 | 0 | azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles | antineoplastic agent; metabolite |
ARS-1620 | [no description available] | low | 0 | 0 | quinazolines | antineoplastic agent; antiviral agent; inhibitor |
sotorasib | [no description available] | low | 0 | 0 | acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide | antineoplastic agent |
2,3-dihydroxybenzoic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid | human xenobiotic metabolite; plant metabolite |
tartronic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; dicarboxylic fatty acid | plant metabolite |
3-phenylpropionic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | antifungal agent; human metabolite; plant metabolite |
4-hydroxybenzyl alcohol | [no description available] | low | 0 | 0 | benzyl alcohols; phenols | plant metabolite |
4-hydroxybenzaldehyde | [no description available] | low | 0 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite |
4-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; phenols | fungal metabolite; human metabolite; mouse metabolite; plant metabolite |
4-hydroxybenzoic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | algal metabolite; plant metabolite |
allantoic acid | [no description available] | low | 0 | 0 | ureas | mouse metabolite; plant metabolite |
benzaldehyde | [no description available] | low | 0 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite |
benzoic acid | [no description available] | low | 0 | 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 |
betaine aldehyde | [no description available] | low | 0 | 0 | quaternary ammonium ion | Aspergillus metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
cadaverine | [no description available] | low | 0 | 0 | alkane-alpha,omega-diamine | Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite |
catechol | [no description available] | low | 0 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
choline | [no description available] | low | 0 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
coumarin | [no description available] | low | 0 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
cuminol | [no description available] | low | 0 | 0 | benzyl alcohols; p-menthane monoterpenoid | fragrance; insect repellent; plant metabolite; volatile oil component; xenobiotic metabolite |
cuminaldehyde | [no description available] | low | 0 | 0 | benzaldehydes | insecticide; plant metabolite; volatile oil component |
4-vinylguaiacol | [no description available] | low | 0 | 0 | phenols | flavouring agent; pheromone; plant metabolite |
salicylic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
4-methylumbelliferyl acetate | [no description available] | low | 0 | 0 | acetate ester; coumarins | plant metabolite |
indoleacetamide | [no description available] | low | 0 | 0 | indoles; monocarboxylic acid amide; N-acylammonia | bacterial metabolite; fungal metabolite; plant metabolite |
caprylic aldehyde | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | plant metabolite |
n(1)-methylnicotinamide | [no description available] | low | 0 | 0 | pyridinium ion | algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
guaiacol | [no description available] | low | 0 | 0 | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
1-aminocyclopropane-1-carboxylic acid | [no description available] | low | 0 | 0 | amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid | ethylene releasers; plant metabolite |
3,4-dihydrocoumarin | [no description available] | low | 0 | 0 | chromanone | plant metabolite |
homogentisic acid | [no description available] | low | 0 | 0 | dihydroxyphenylacetic acid; hydroquinones | human metabolite; plant metabolite |
indol-3-yl pyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; indol-3-yl carboxylic acid | plant metabolite; Saccharomyces cerevisiae metabolite |
melilotic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; phenols | bacterial xenobiotic metabolite; fungal xenobiotic metabolite; human xenobiotic metabolite; plant metabolite |
racemethionine | [no description available] | low | 0 | 0 | alpha-amino acid; amino acid zwitterion; sulfur-containing amino acid | algal metabolite; Daphnia magna metabolite; Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
n-methylphenylethanolamine | [no description available] | low | 0 | 0 | alkaloid; phenylethanolamines | human metabolite; plant metabolite |
naphthalene | [no description available] | low | 0 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
niacin | [no description available] | low | 0 | 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 |
1-octanol | [no description available] | low | 0 | 0 | octanol; primary alcohol | antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite |
oxalic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
4-aminobenzoic acid | [no description available] | low | 0 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
palmitic acid | [no description available] | low | 0 | 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 |
phenylacetic acid | [no description available] | low | 0 | 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 |
prephenic acid | [no description available] | low | 0 | 0 | oxo dicarboxylic acid | Escherichia coli metabolite; plant metabolite |
pyridoxamine | [no description available] | low | 0 | 0 | aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
pyrogallol | [no description available] | low | 0 | 0 | benzenetriol; phenolic donor | plant metabolite |
tryptamine | [no description available] | low | 0 | 0 | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite |
vanillin | [no description available] | low | 0 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
meglutol | [no description available] | low | 0 | 0 | 3-hydroxy carboxylic acid; dicarboxylic acid; tertiary alcohol | anticholesteremic drug; antimetabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; human metabolite; plant metabolite |
methylbufotenin | [no description available] | low | 0 | 0 | aromatic ether; tertiary amino compound; tryptamine alkaloid | hallucinogen; plant metabolite |
anabasine | [no description available] | low | 0 | 0 | piperidine alkaloid; pyridine alkaloid | nicotinic acetylcholine receptor agonist; plant metabolite; teratogenic agent |
acetovanillone | [no description available] | low | 0 | 0 | acetophenones; aromatic ketone; methyl ketone | antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite |
benzyl benzoate | [no description available] | low | 0 | 0 | benzoate ester; benzyl ester | acaricide; plant metabolite; scabicide |
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one | [no description available] | low | 0 | 0 | aromatic ether; benzoxazine; cyclic hydroxamic acid; lactol | allelochemical; plant metabolite |
caffeic acid | [no description available] | low | 0 | 0 | catechols; hydroxycinnamic acid | antioxidant; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
caffeine | [no description available] | low | 0 | 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 |
beta-glycerophosphoric acid | [no description available] | low | 0 | 0 | glycerol monophosphate | Escherichia coli metabolite; plant metabolite |
camphor, (+-)-isomer | [no description available] | low | 0 | 0 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
cetyl alcohol | [no description available] | low | 0 | 0 | hexadecanol; long-chain primary fatty alcohol | algal metabolite; flavouring agent; human metabolite; plant metabolite |
chrysanthemic acid | [no description available] | low | 0 | 0 | cyclopropanes; monocarboxylic acid | plant metabolite |
colchicine, (+-)-isomer | [no description available] | low | 0 | 0 | acetamides; alkaloid; aromatic ether; carbotricyclic compound | microtubule-destabilising agent; plant metabolite |
danthron | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | apoptosis inducer; plant metabolite |
benzophenone | [no description available] | low | 0 | 0 | benzophenones | photosensitizing agent; plant metabolite |
guvacine | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine | GABA reuptake inhibitor; plant metabolite |
indolepropionic acid | [no description available] | low | 0 | 0 | indol-3-yl carboxylic acid | auxin; human metabolite; plant metabolite |
masoprocol | [no description available] | low | 0 | 0 | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
4-aminobenzoic acid | [no description available] | low | 0 | 0 | aminobenzoate; aromatic amino-acid anion | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
protopine | [no description available] | low | 0 | 0 | dibenzazecine alkaloid | plant metabolite |
safrole | [no description available] | low | 0 | 0 | benzodioxoles | flavouring agent; insecticide; metabolite; plant metabolite |
sebacic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human metabolite; plant metabolite |
stearic acid | [no description available] | low | 0 | 0 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite |
triacetin | [no description available] | low | 0 | 0 | triglyceride | adjuvant; antifungal drug; food additive carrier; food emulsifier; food humectant; fuel additive; plant metabolite; solvent |
trigonelline | [no description available] | low | 0 | 0 | alkaloid; iminium betaine | food component; human urinary metabolite; plant metabolite |
undecylenic acid | [no description available] | low | 0 | 0 | undecenoic acid | antifungal drug; plant metabolite |
hydroxyproline | [no description available] | low | 0 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
dipropylenetriame | [no description available] | low | 0 | 0 | polyazaalkane | algal metabolite; plant metabolite |
lysine | [no description available] | low | 0 | 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 |
levodopa | [no description available] | low | 0 | 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 |
phenylalanine | [no description available] | low | 0 | 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 |
ficusin | [no description available] | low | 0 | 0 | psoralens | plant metabolite |
asparagine | [no description available] | low | 0 | 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 |
n-pentanol | [no description available] | low | 0 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
threonine | [no description available] | low | 0 | 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 |
alizarin | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | chromophore; dye; plant metabolite |
tryptophan | [no description available] | low | 0 | 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 |
isoleucine | [no description available] | low | 0 | 0 | aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
ethane | [no description available] | low | 0 | 0 | alkane; gas molecular entity | plant metabolite; refrigerant |
isophorone | [no description available] | low | 0 | 0 | cyclic ketone; enone | plant metabolite; solvent |
isoprene | [no description available] | low | 0 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
isobutylamine | [no description available] | low | 0 | 0 | alkylamines | plant metabolite |
isobutyric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; fatty acid 4:0; methyl-branched fatty acid | Daphnia magna metabolite; plant metabolite; volatile oil component |
camphene | [no description available] | low | 0 | 0 | carbobicyclic compound; monoterpene | fragrance; plant metabolite |
alpha-pinene | [no description available] | low | 0 | 0 | pinene | plant metabolite |
purpurin | [no description available] | low | 0 | 0 | trihydroxyanthraquinone | biological pigment; histological dye; plant metabolite |
2,6-dihydroxyanthraquinone | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | antimutagen; plant metabolite |
methyl n-methylanthranilate | [no description available] | low | 0 | 0 | benzoate ester; methyl ester; secondary amino compound; substituted aniline | animal metabolite; fungal metabolite; plant metabolite |
2-furoic acid | [no description available] | low | 0 | 0 | furoic acid | bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite |
piperitone | [no description available] | low | 0 | 0 | cyclic terpene ketone; p-menthane monoterpenoid | plant metabolite; volatile oil component |
resacetophenone | [no description available] | low | 0 | 0 | dihydroxyacetophenone; resorcinols | plant metabolite |
salicylaldehyde | [no description available] | low | 0 | 0 | hydroxybenzaldehyde | nematicide; plant metabolite |
1-methylnaphthalene | [no description available] | low | 0 | 0 | methylnaphthalene | carcinogenic agent; plant metabolite |
pseudoephedrine | [no description available] | low | 0 | 0 | phenylethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
pyrogallol 1,3-dimethyl ether | [no description available] | low | 0 | 0 | dimethoxybenzene; phenols | plant metabolite |
veratrole | [no description available] | low | 0 | 0 | dimethoxybenzene | plant metabolite |
isatin | [no description available] | low | 0 | 0 | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
phenothiazine | [no description available] | low | 0 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
veratric acid | [no description available] | low | 0 | 0 | benzoic acids | allergen; plant metabolite |
synephrine | [no description available] | low | 0 | 0 | ethanolamines; phenethylamine alkaloid; phenols | alpha-adrenergic agonist; plant metabolite |
piperonylic acid | [no description available] | low | 0 | 0 | aromatic carboxylic acid; benzodioxoles; monocarboxylic acid | antifungal agent; EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor; plant metabolite; vulnerary |
benzothiazole | [no description available] | low | 0 | 0 | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
2-methylbutanal | [no description available] | low | 0 | 0 | 2-methyl-branched fatty aldehyde; methylbutanal | plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component |
methylcyclopentane | [no description available] | low | 0 | 0 | cycloalkane; volatile organic compound | human metabolite; plant metabolite |
phosphoribosyl pyrophosphate | [no description available] | low | 0 | 0 | 5-O-phosphono-D-ribofuranosyl diphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
2-methylvaleric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; methyl-branched fatty acid; monocarboxylic acid; short-chain fatty acid | flavouring agent; fragrance; plant metabolite |
ethyl 2-methylpropanoate | [no description available] | low | 0 | 0 | fatty acid ethyl ester | plant metabolite |
3-hydroxybenzoic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | bacterial metabolite; plant metabolite |
methyl gallate | [no description available] | low | 0 | 0 | gallate ester | anti-inflammatory agent; antioxidant; plant metabolite |
carveol | [no description available] | low | 0 | 0 | limonene monoterpenoid | plant metabolite; volatile oil component |
methylparaben | [no description available] | low | 0 | 0 | paraben | antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite |
gamma-terpinene | [no description available] | low | 0 | 0 | cyclohexadiene; monoterpene | antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component |
alpha-terpinene | [no description available] | low | 0 | 0 | cyclohexadiene; monoterpene | plant metabolite; volatile oil component |
4-cymene | [no description available] | low | 0 | 0 | monoterpene; toluenes | human urinary metabolite; plant metabolite; volatile oil component |
4-hydroxyacetophenone | [no description available] | low | 0 | 0 | monohydroxyacetophenone | fungal metabolite; mouse metabolite; plant metabolite |
4-anisic acid | [no description available] | low | 0 | 0 | methoxybenzoic acid | plant metabolite |
styrene | [no description available] | low | 0 | 0 | styrenes; vinylarene; volatile organic compound | mouse metabolite; mutagen; plant metabolite |
benzylamine | [no description available] | low | 0 | 0 | aralkylamine; primary amine | allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite |
anisole | [no description available] | low | 0 | 0 | monomethoxybenzene | plant metabolite |
phenyl ether | [no description available] | low | 0 | 0 | aromatic ether | plant metabolite |
1,3-diphenylurea | [no description available] | low | 0 | 0 | phenylureas | cytokinin; plant metabolite |
3-phenylpropanal | [no description available] | low | 0 | 0 | aldehyde; benzenes | flavouring agent; plant metabolite |
2-ethylhexanol | [no description available] | low | 0 | 0 | primary alcohol | plant metabolite; volatile oil component |
4-methylbenzaldehyde | [no description available] | low | 0 | 0 | tolualdehyde | plant metabolite |
ethyl butyrate | [no description available] | low | 0 | 0 | butyrate ester | plant metabolite |
12-hydroxy stearic acid | [no description available] | low | 0 | 0 | hydroxyoctadecanoic acid; secondary alcohol | bacterial xenobiotic metabolite; plant metabolite |
methyl caproate | [no description available] | low | 0 | 0 | fatty acid methyl ester; hexanoate ester | flavouring agent; plant metabolite |
propanethiol | [no description available] | low | 0 | 0 | alkanethiol | plant metabolite |
allyl alcohol | [no description available] | low | 0 | 0 | primary allylic alcohol; propenol | antibacterial agent; fungicide; herbicide; insecticide; plant metabolite |
isoamylamine | [no description available] | low | 0 | 0 | primary aliphatic amine | bacterial metabolite; plant metabolite |
2-pentanone | [no description available] | low | 0 | 0 | methyl ketone; pentanone | plant metabolite |
methylcyclohexane | [no description available] | low | 0 | 0 | cycloalkane; volatile organic compound | aprotic solvent; human metabolite; plant metabolite |
n-pentanoic acid | [no description available] | low | 0 | 0 | short-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
propyl acetate | [no description available] | low | 0 | 0 | acetate ester | fragrance; plant metabolite |
allyl cyanide | [no description available] | low | 0 | 0 | aliphatic nitrile; olefinic compound | antifeedant; neurotoxin; plant metabolite |
ethyl formate | [no description available] | low | 0 | 0 | ethyl ester; formate ester | fumigant; plant metabolite |
pentanal | [no description available] | low | 0 | 0 | saturated fatty aldehyde | plant metabolite |
piperidine | [no description available] | low | 0 | 0 | azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine | base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent |
heptanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
1-hexanol | [no description available] | low | 0 | 0 | hexanol; primary alcohol | alarm pheromone; antibacterial agent; fragrance; plant metabolite |
ethyl stearate | [no description available] | low | 0 | 0 | long-chain fatty acid ethyl ester; octadecanoate ester | plant metabolite |
heptanol | [no description available] | low | 0 | 0 | heptanol; primary alcohol | flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite |
nonane | [no description available] | low | 0 | 0 | alkane | plant metabolite; volatile oil component |
pelargonic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite |
undecan-2-one | [no description available] | low | 0 | 0 | dialkyl ketone; methyl ketone | plant metabolite; rodenticide |
octyl acetate | [no description available] | low | 0 | 0 | acetate ester | plant metabolite |
decanaldehyde | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | antifungal agent; fragrance; plant metabolite |
n-dodecane | [no description available] | low | 0 | 0 | alkane | plant metabolite |
undecan-1-ol | [no description available] | low | 0 | 0 | primary alcohol; undecanol | flavouring agent; plant metabolite |
undecanal | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | antimycobacterial drug; plant metabolite; volatile oil component |
dodecanol | [no description available] | low | 0 | 0 | dodecanol; primary alcohol | bacterial metabolite; cosmetic; insect attractant; insecticide; pheromone; plant metabolite |
1-tridecanol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol; tridecanol | bacterial metabolite; human metabolite; plant metabolite |
myristyl alcohol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol; tetradecanol | pheromone; plant metabolite; volatile oil component |
behenic acid | [no description available] | low | 0 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
stearyl alcohol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol; octadecanol | algal metabolite; human metabolite; plant metabolite |
eicosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite |
3-hydroxy-3-methylbutene | [no description available] | low | 0 | 0 | olefinic compound; tertiary alcohol | animal metabolite; fragrance; pheromone; plant metabolite |
3,4,5-trimethoxybenzoic acid | [no description available] | low | 0 | 0 | benzoic acids; methoxybenzenes | human urinary metabolite; human xenobiotic metabolite; plant metabolite |
2-chlorobenzoic acid | [no description available] | low | 0 | 0 | 2-halobenzoic acid; monochlorobenzoic acid | plant hormone; plant metabolite |
scoparone | [no description available] | low | 0 | 0 | aromatic ether; coumarins | anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite |
dimethoxyphenylethylamine | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; phenylethylamine | allergen; plant metabolite |
ethyl-p-hydroxybenzoate | [no description available] | low | 0 | 0 | ethyl ester; paraben | antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite |
piperonal | [no description available] | low | 0 | 0 | arenecarbaldehyde; benzodioxoles | fragrance; insect repellent; plant metabolite |
vanillic acid | [no description available] | low | 0 | 0 | methoxybenzoic acid; monohydroxybenzoic acid | plant metabolite |
peucedanin | [no description available] | low | 0 | 0 | aromatic ether; furanocoumarin; lactone | plant metabolite |
syringaldehyde | [no description available] | low | 0 | 0 | dimethoxybenzene; hydroxybenzaldehyde | hypoglycemic agent; plant metabolite |
2-aminothiophenol | [no description available] | low | 0 | 0 | aryl thiol; substituted aniline | plant metabolite |
estragole | [no description available] | low | 0 | 0 | alkenylbenzene; monomethoxybenzene; phenylpropanoid | carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite |
citronellol | [no description available] | low | 0 | 0 | monoterpenoid | plant metabolite |
ethyl acetoacetate | [no description available] | low | 0 | 0 | ethyl ester | antibacterial agent; flavouring agent; plant metabolite |
2-hydroxypyridine | [no description available] | low | 0 | 0 | monohydroxypyridine | plant metabolite |
hexanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | human metabolite; plant metabolite |
n-heptane | [no description available] | low | 0 | 0 | alkane; volatile organic compound | non-polar solvent; plant metabolite |
1-nonanol | [no description available] | low | 0 | 0 | nonanol; primary alcohol | antifungal agent; flavouring agent; plant metabolite; volatile oil component |
2-vanillin | [no description available] | low | 0 | 0 | benzaldehydes; guaiacols | antimutagen; plant metabolite |
citronellyl acetate | [no description available] | low | 0 | 0 | acetate ester; monoterpenoid | plant metabolite |
chrysene | [no description available] | low | 0 | 0 | ortho-fused polycyclic arene | plant metabolite |
azulene | [no description available] | low | 0 | 0 | azulenes; mancude carbobicyclic parent; ortho-fused bicyclic arene | plant metabolite; volatile oil component |
ephedrine | [no description available] | low | 0 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
pseudoephedrine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | plant metabolite |
galantamine | [no description available] | low | 0 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
4-methylcatechol | [no description available] | low | 0 | 0 | methylcatechol | antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite |
beta-erythroidine | [no description available] | low | 0 | 0 | delta-lactone; indole alkaloid; organic heterotetracyclic compound; tertiary amino compound | muscle relaxant; plant metabolite |
pinane | [no description available] | low | 0 | 0 | carbobicyclic compound; monoterpene; terpenoid fundamental parent | plant metabolite |
chrysophanic acid | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antiviral agent; plant metabolite |
reticulin | [no description available] | low | 0 | 0 | benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol | plant metabolite |
indole-3-carbaldehyde | [no description available] | low | 0 | 0 | heteroarenecarbaldehyde; indole alkaloid; indoles | bacterial metabolite; human xenobiotic metabolite; marine metabolite; plant metabolite |
phenylpropanolamine | [no description available] | low | 0 | 0 | amphetamines; phenethylamine alkaloid | plant metabolite |
4-hydroxyphenylethanol | [no description available] | low | 0 | 0 | phenols | anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent |
phloretic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid | plant metabolite |
citronellic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; monoterpenoid; monounsaturated fatty acid | flavouring agent; plant metabolite |
isovaleric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid | mammalian metabolite; plant metabolite |
iberin | [no description available] | low | 0 | 0 | isothiocyanate; sulfoxide | apoptosis inducer; plant metabolite; quorum sensing inhibitor |
16-hydroxypalmitic acid | [no description available] | low | 0 | 0 | hydroxypalmitic acid; omega-hydroxy-long-chain fatty acid | plant metabolite |
arachidic acid | [no description available] | low | 0 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
octacosanoic acid | [no description available] | low | 0 | 0 | straight-chain saturated fatty acid; ultra-long-chain fatty acid | plant metabolite |
ascaridole | [no description available] | low | 0 | 0 | organic heterobicyclic compound; organic peroxide; p-menthane monoterpenoid | antileishmanial agent; antinematodal drug; plant metabolite |
abietic acid | [no description available] | low | 0 | 0 | abietane diterpenoid; monocarboxylic acid | plant metabolite |
hematoxylin | [no description available] | low | 0 | 0 | organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol | histological dye; plant metabolite |
pyridoxamine dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
tryptophol | [no description available] | low | 0 | 0 | indolyl alcohol | auxin; plant metabolite; Saccharomyces cerevisiae metabolite |
hemimellitene | [no description available] | low | 0 | 0 | trimethylbenzene | neurotoxin; plant metabolite |
2-methylbenzaldehyde | [no description available] | low | 0 | 0 | tolualdehyde | plant metabolite |
syringic acid | [no description available] | low | 0 | 0 | benzoic acids; dimethoxybenzene; phenols | plant metabolite |
6-methoxybenzoxazolinone | [no description available] | low | 0 | 0 | aromatic ether; benzoxazole | antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite |
1,1-dimethoxyethane | [no description available] | low | 0 | 0 | acetal; diether | flavouring agent; plant metabolite |
2-methylfuran | [no description available] | low | 0 | 0 | furans; volatile organic compound | flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite |
perillyl alcohol | [no description available] | low | 0 | 0 | limonene monoterpenoid | plant metabolite; volatile oil component |
cumic acid | [no description available] | low | 0 | 0 | cumic acid | plant metabolite |
tricaprylin | [no description available] | low | 0 | 0 | octanoate ester; triglyceride | anticonvulsant; plant metabolite |
senecioic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; methyl-branched fatty acid; monounsaturated fatty acid; short-chain fatty acid | plant metabolite |
3-hexen-1-ol | [no description available] | low | 0 | 0 | alkenyl alcohol; homoallylic alcohol; primary alcohol; volatile organic compound | plant metabolite |
n-hexadecane | [no description available] | low | 0 | 0 | long-chain alkane | non-polar solvent; plant metabolite; volatile oil component |
beta-phellandrene | [no description available] | low | 0 | 0 | phellandrene | plant metabolite |
tristearin | [no description available] | low | 0 | 0 | triacylglycerol 54:0 | Caenorhabditis elegans metabolite; plant metabolite |
lignoceric acid | [no description available] | low | 0 | 0 | straight-chain saturated fatty acid; very long-chain fatty acid | Daphnia tenebrosa metabolite; human metabolite; plant metabolite; volatile oil component |
6-methylsalicylic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | Penicillium metabolite; plant metabolite |
1-phenyl-1,2-propanedione | [no description available] | low | 0 | 0 | alpha-diketone; aromatic ketone | plant metabolite |
2-methylcyclohexanone | [no description available] | low | 0 | 0 | cyclohexanones | flavouring agent; plant metabolite |
terpinolene | [no description available] | low | 0 | 0 | p-menthadiene | insect repellent; plant metabolite; sedative; volatile oil component |
isovalerylaldehyde | [no description available] | low | 0 | 0 | methylbutanal | flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component |
levulinic acid | [no description available] | low | 0 | 0 | oxopentanoic acid; straight-chain saturated fatty acid | plant metabolite |
2-tridecanone | [no description available] | low | 0 | 0 | methyl ketone | flavouring agent; plant metabolite |
octadecane | [no description available] | low | 0 | 0 | long-chain alkane | bacterial metabolite; plant metabolite |
dimethylselenide | [no description available] | low | 0 | 0 | organoselenium compound | bacterial xenobiotic metabolite; plant metabolite |
chorismic acid | [no description available] | low | 0 | 0 | 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
2-methyl-5-(1-methylethenyl)cyclohexanol | [no description available] | low | 0 | 0 | p-menthane monoterpenoid; secondary alcohol | acaricide; plant metabolite; volatile oil component |
4-carboxybenzaladehyde | [no description available] | low | 0 | 0 | benzaldehydes; benzoic acids; monocarboxylic acid | plant metabolite |
3-methylbenzaldehyde | [no description available] | low | 0 | 0 | tolualdehyde | plant metabolite |
isovanillin | [no description available] | low | 0 | 0 | benzaldehydes; monomethoxybenzene; phenols | animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite |
2,5-dimethylfuran | [no description available] | low | 0 | 0 | furans | antifungal agent; bacterial metabolite; fuel; fumigant; human urinary metabolite; Maillard reaction product; plant metabolite |
2-hexanol | [no description available] | low | 0 | 0 | hexanol; secondary alcohol | human metabolite; plant metabolite; semiochemical |
ethyl palmitate | [no description available] | low | 0 | 0 | hexadecanoate ester; long-chain fatty acid ethyl ester | plant metabolite |
2-nonanol | [no description available] | low | 0 | 0 | nonanol; secondary alcohol | bacterial metabolite; flavouring agent; pheromone; plant metabolite; rat metabolite; volatile oil component |
n-propyl disulfide | [no description available] | low | 0 | 0 | organic disulfide | plant metabolite |
tridecane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
n-tetradecane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
pentadecane | [no description available] | low | 0 | 0 | long-chain alkane | animal metabolite; plant metabolite; volatile oil component |
heptadecane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
nonadecane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
n-heneicosane | [no description available] | low | 0 | 0 | long-chain alkane | pheromone; plant metabolite; volatile oil component |
docosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite |
octacosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite |
nonacosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
bulbocapnine | [no description available] | low | 0 | 0 | aporphine alkaloid; aromatic ether; oxacycle; phenols | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; EC 1.4.3.22 (diamine oxidase) inhibitor; plant metabolite |
1,2,3-trimethoxybenzene | [no description available] | low | 0 | 0 | methoxybenzenes | plant metabolite |
2-pyrrolecarboxylic acid | [no description available] | low | 0 | 0 | pyrrolecarboxylic acid | plant metabolite |
n-tricosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
2-propylphenol | [no description available] | low | 0 | 0 | phenols | flavouring agent; plant metabolite |
isovanillic acid | [no description available] | low | 0 | 0 | methoxybenzoic acid; monohydroxybenzoic acid | antibacterial agent; plant metabolite |
tetracosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite; volatile oil component |
docosanol | [no description available] | low | 0 | 0 | docosanol; long-chain primary fatty alcohol | antiviral drug; plant metabolite |
2-methylpyrrolidine | [no description available] | low | 0 | 0 | pyrrolidines | plant metabolite |
2-nonanone | [no description available] | low | 0 | 0 | methyl ketone | plant metabolite |
ethyl gallate | [no description available] | low | 0 | 0 | gallate ester | plant metabolite |
3-methylfuran | [no description available] | low | 0 | 0 | furans; volatile organic compound | Aspergillus metabolite; environmental contaminant; fungal metabolite; Penicillium metabolite; plant metabolite |
pentadecanoic acid | [no description available] | low | 0 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; food component; human blood serum metabolite; plant metabolite |
dihydroferulic acid | [no description available] | low | 0 | 0 | guaiacols; monocarboxylic acid; phenylpropanoid | antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite |
fenchone, (+-)-isomer | [no description available] | low | 0 | 0 | carbobicyclic compound; cyclic terpene ketone; fenchane monoterpenoid | plant metabolite |
beta-pinene | [no description available] | low | 0 | 0 | pinene | plant metabolite |
glycyrrhizic acid | [no description available] | low | 0 | 0 | enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor; plant metabolite |
d-alpha tocopherol | [no description available] | low | 0 | 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 |
selenomethionine | [no description available] | low | 0 | 0 | selenoamino acid; selenomethionines | plant metabolite |
1-pentene-3-one | [no description available] | low | 0 | 0 | enone | flavouring agent; genotoxin; human metabolite; plant metabolite |
dodecyldimethylamine oxide | [no description available] | low | 0 | 0 | tertiary amine oxide | detergent; plant metabolite |
2-undecanol | [no description available] | low | 0 | 0 | secondary alcohol; undecanol | animal metabolite; flavouring agent; pheromone; plant metabolite; volatile oil component |
digoxigenin | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 14beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-sterol | hapten; plant metabolite |
heliamine | [no description available] | low | 0 | 0 | aromatic ether; diether; isoquinoline alkaloid; isoquinolines | plant metabolite |
6h-dibenzo-(b,d)-pyran-6-one | [no description available] | low | 0 | 0 | benzochromenone | plant metabolite |
dihydroconiferyl alcohol | [no description available] | low | 0 | 0 | eugenol; primary alcohol | plant metabolite |
propyl benzoate | [no description available] | low | 0 | 0 | benzoate ester | antimicrobial food preservative; flavouring agent; plant metabolite |
tricosanoic acid | [no description available] | low | 0 | 0 | straight-chain saturated fatty acid; very long-chain fatty acid | Daphnia magna metabolite; human metabolite; plant metabolite |
alpha-terpineol | [no description available] | low | 0 | 0 | terpineol | plant metabolite |
acetosyringone | [no description available] | low | 0 | 0 | acetophenones; dimethoxybenzene; phenols | anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite |
2-ethylfuran | [no description available] | low | 0 | 0 | furans; volatile organic compound | bacterial metabolite; fragrance; Maillard reaction product; plant metabolite |
sabinene | [no description available] | low | 0 | 0 | thujene | plant metabolite |
palmatine | [no description available] | low | 0 | 0 | berberine alkaloid; organic heterotetracyclic compound | plant metabolite |
n-butylbenzenesulfonamide | [no description available] | low | 0 | 0 | sulfonamide | neurotoxin; plant metabolite |
furaneol | [no description available] | low | 0 | 0 | cyclic ketone; enol; furans | flavouring agent; fragrance; plant metabolite |
methyl vanillate | [no description available] | low | 0 | 0 | aromatic ether; benzoate ester; phenols | antioxidant; plant metabolite |
2-octanol | [no description available] | low | 0 | 0 | octanol; secondary alcohol | plant metabolite; volatile oil component |
5-methoxyindole-2-carboxylic acid | [no description available] | low | 0 | 0 | aromatic ether; indolecarboxylic acid | EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor; hypoglycemic agent; plant metabolite |
canadine, (s)-isomer | [no description available] | low | 0 | 0 | an (S)-7,8,13,14-tetrahydroprotoberberine; canadine | plant metabolite |
14-methylhexadecanoic acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | mammalian metabolite; plant metabolite |
dimethyldiselenide | [no description available] | low | 0 | 0 | organoselenium compound | bacterial metabolite; human xenobiotic metabolite; mammalian metabolite; plant metabolite |
s-methylcysteine | [no description available] | low | 0 | 0 | S-alkyl-L-cysteine zwitterion; S-alkyl-L-cysteine | human urinary metabolite; plant metabolite |
dihydrocarvone | [no description available] | low | 0 | 0 | dihydrocarvones | plant metabolite |
marmesin, (r)-isomer | [no description available] | low | 0 | 0 | marmesin | plant metabolite; rat metabolite; xenobiotic metabolite |
4-hydroxybenzylcyanide | [no description available] | low | 0 | 0 | hydroxynitrile | plant metabolite |
2,3,5-trimethylpyrazine | [no description available] | low | 0 | 0 | pyrazines | animal metabolite; bacterial metabolite; flavouring agent; pheromone; plant metabolite |
2,4-dihydroxy-1,4-benzoxazin-3-one | [no description available] | low | 0 | 0 | benzoxazine; cyclic hydroxamic acid; lactol | allelochemical; herbicide; phytotoxin; plant metabolite |
precocene i | [no description available] | low | 0 | 0 | aromatic ether; chromenes | plant metabolite; precocenes |
1-deoxynojirimycin | [no description available] | low | 0 | 0 | 2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid | anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite |
neohesperidin dihydrochalcone | [no description available] | low | 0 | 0 | dihydrochalcones; disaccharide derivative; neohesperidoside | environmental contaminant; plant metabolite; sweetening agent; xenobiotic |
4-anisaldehyde | [no description available] | low | 0 | 0 | benzaldehydes | bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite |
myrcene | [no description available] | low | 0 | 0 | monoterpene | anabolic agent; anti-inflammatory agent; flavouring agent; fragrance; plant metabolite; volatile oil component |
diacetone alcohol | [no description available] | low | 0 | 0 | beta-hydroxy ketone | plant metabolite |
methyl tetradecanoate | [no description available] | low | 0 | 0 | fatty acid methyl ester | flavouring agent; fragrance; plant metabolite |
nonanal | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human metabolite; plant metabolite |
tetradecanal | [no description available] | low | 0 | 0 | 2,3-saturated fatty aldehyde; long-chain fatty aldehyde | bacterial metabolite; plant metabolite |
oxypeucadanin, (s)-(-)-isomer | [no description available] | low | 0 | 0 | epoxide; furanocoumarin; lactone | plant metabolite |
amygdalin | [no description available] | low | 0 | 0 | cyanogenic glycoside; disaccharide derivative; gentiobioside | plant metabolite |
octyl gallate | [no description available] | low | 0 | 0 | gallate ester | food antioxidant; hypoglycemic agent; plant metabolite |
vanillyl alcohol | [no description available] | low | 0 | 0 | benzyl alcohols; guaiacols | plant metabolite |
benzylaminopurine | [no description available] | low | 0 | 0 | 6-aminopurines | cytokinin; plant metabolite |
allyl methyl disulfide | [no description available] | low | 0 | 0 | organic disulfide | plant metabolite; volatile oil component |
octyl glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside | plant metabolite |
dihydrochalcone | [no description available] | low | 0 | 0 | dihydrochalcones | plant metabolite |
calanolide a | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; organic heterotetracyclic compound; secondary alcohol | HIV-1 reverse transcriptase inhibitor; plant metabolite |
aica ribonucleotide | [no description available] | low | 0 | 0 | 1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole | cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
obtusifoliol | [no description available] | low | 0 | 0 | 14alpha-methyl steroid; 3beta-sterol | mouse metabolite; plant metabolite |
secoisolariciresinol | [no description available] | low | 0 | 0 | secoisolariciresinol | antidepressant; phytoestrogen; plant metabolite |
solanidine | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; solanid-5-en-3-ol; steroid alkaloid fundamental parent | plant metabolite; toxin |
valerophenone | [no description available] | low | 0 | 0 | aromatic ketone | plant metabolite; volatile oil component |
2,4,6-trihydroxyacetophenone | [no description available] | low | 0 | 0 | aromatic ketone; benzenetriol; methyl ketone | MALDI matrix material; plant metabolite |
djenkolic acid | [no description available] | low | 0 | 0 | dithioacetal; L-cysteine derivative; non-proteinogenic L-alpha-amino acid | plant metabolite; toxin |
1-hexacosanol | [no description available] | low | 0 | 0 | hexacosanol; very long-chain primary fatty alcohol | insecticide; plant metabolite |
actinidine | [no description available] | low | 0 | 0 | cyclopentapyridine; pyridine alkaloid | pheromone; plant metabolite |
7-methylxanthine | [no description available] | low | 0 | 0 | oxopurine; purine alkaloid | human xenobiotic metabolite; mouse metabolite; plant metabolite |
1-octacosanol | [no description available] | low | 0 | 0 | fatty alcohol 28:0; ultra-long-chain primary fatty alcohol | plant metabolite |
suberosin | [no description available] | low | 0 | 0 | aromatic ether; coumarins | anticoagulant; plant metabolite |
artemisinin | [no description available] | low | 0 | 0 | organic peroxide; sesquiterpene lactone | antimalarial; plant metabolite |
methyl syringate | [no description available] | low | 0 | 0 | benzoate ester; dimethoxybenzene; phenols | plant metabolite |
gallocatechol | [no description available] | low | 0 | 0 | catechin; flavan-3,3',4',5,5',7-hexol | antioxidant; food component; plant metabolite |
lycorine | [no description available] | low | 0 | 0 | indolizidine alkaloid | anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor |
beta-amyrin | [no description available] | low | 0 | 0 | pentacyclic triterpenoid; secondary alcohol | Aspergillus metabolite; plant metabolite |
pinostrobin | [no description available] | low | 0 | 0 | monohydroxyflavanone; monomethoxyflavanone | antidote; plant metabolite |
isoalantolactone | [no description available] | low | 0 | 0 | eudesmane sesquiterpenoid; sesquiterpene lactone | antifungal agent; apoptosis inducer; plant metabolite |
pulsatilla saponin a | [no description available] | low | 0 | 0 | disaccharide derivative; hydroxy monocarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; plant metabolite |
hederagenin | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid; sapogenin | plant metabolite |
magnoflorine | [no description available] | low | 0 | 0 | aporphine alkaloid; quaternary ammonium ion | plant metabolite |
strychnine n-oxide | [no description available] | low | 0 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound; tertiary amine oxide | plant metabolite |
pinoresinol | [no description available] | low | 0 | 0 | pinoresinol | hypoglycemic agent; phytoestrogen; plant metabolite |
dauricine | [no description available] | low | 0 | 0 | aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound | plant metabolite |
sakuranetin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavonoid phytoalexin; monomethoxyflavanone | antimycobacterial drug; plant metabolite |
indole-5-carboxylic acid | [no description available] | low | 0 | 0 | indolecarboxylic acid | plant metabolite |
1,3,7,9-tetramethyluric acid | [no description available] | low | 0 | 0 | oxopurine; purine alkaloid | analgesic; anti-inflammatory agent; human xenobiotic metabolite; plant metabolite |
phenylalanylleucine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | plant metabolite |
ethyl protocatechuate | [no description available] | low | 0 | 0 | catechols; ethyl ester | antibacterial agent; antioxidant; apoptosis inducer; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; plant metabolite |
3,5-dimethoxytoluene | [no description available] | low | 0 | 0 | methoxybenzenes; toluenes | fragrance; plant metabolite |
methylthioethanol | [no description available] | low | 0 | 0 | aliphatic sulfide; primary alcohol | plant metabolite; xenobiotic metabolite |
alpha-bergamotene | [no description available] | low | 0 | 0 | bridged compound; polycyclic olefin; sesquiterpene | plant metabolite; volatile oil component |
loganin | [no description available] | low | 0 | 0 | beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol | anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite |
4-methyl-4-sulfanylpentan-2-one | [no description available] | low | 0 | 0 | alkanethiol; methyl ketone | plant metabolite; Saccharomyces cerevisiae metabolite |
5,7-dimethoxyflavone | [no description available] | low | 0 | 0 | dimethoxyflavone | plant metabolite |
loganic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclopentapyran; glucoside | plant metabolite |
cholest-4-en-3-one | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid; cholestanoid | human metabolite; plant metabolite |
delta-tocopherol | [no description available] | low | 0 | 0 | tocopherol; vitamin E | food antioxidant; plant metabolite |
cycloartenol | [no description available] | low | 0 | 0 | 3beta-sterol; pentacyclic triterpenoid; phytosterols | plant metabolite |
elemol | [no description available] | low | 0 | 0 | olefinic compound; sesquiterpenoid; tertiary alcohol | fragrance; plant metabolite |
spathulenol | [no description available] | low | 0 | 0 | carbotricyclic compound; olefinic compound; sesquiterpenoid; tertiary alcohol | anaesthetic; plant metabolite; vasodilator agent; volatile oil component |
mor-14 | [no description available] | low | 0 | 0 | hydroxypiperidine; piperidine alkaloid; tertiary amino compound | anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite |
vestitol | [no description available] | low | 0 | 0 | aromatic ether; hydroxyisoflavans; methoxyisoflavan | anti-inflammatory agent; phytoalexin; plant metabolite |
gamma-tocopherol | [no description available] | low | 0 | 0 | tocopherol; vitamin E | algal metabolite; food antioxidant; plant metabolite |
orotidine | [no description available] | low | 0 | 0 | nucleoside; pyrimidinemonocarboxylic acid; uridines | bacterial metabolite; fungal metabolite; plant metabolite |
erythrose | [no description available] | low | 0 | 0 | erythrose | plant metabolite |
24-methylene cycloartanol | [no description available] | low | 0 | 0 | 3beta-hydroxy steroid; pentacyclic triterpenoid | plant metabolite |
panose | [no description available] | low | 0 | 0 | trisaccharide | plant metabolite |
bursehernin | [no description available] | low | 0 | 0 | aromatic ether; benzodioxoles; butan-4-olide; lignan | plant metabolite |
sesaminol | [no description available] | low | 0 | 0 | benzodioxoles; furofuran; organic hydroxy compound | antioxidant; plant metabolite |
4',5,6,7-tetramethoxyflavone | [no description available] | low | 0 | 0 | tetramethoxyflavone | antimutagen; plant metabolite |
gardenin b | [no description available] | low | 0 | 0 | monohydroxyflavone; tetramethoxyflavone | plant metabolite |
quercetin 5,7,3',4'-tetramethyl ether | [no description available] | low | 0 | 0 | flavonols; tetramethoxyflavone | plant metabolite |
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid | [no description available] | low | 0 | 0 | alpha-amino acid; aromatic amino acid; beta-carboline alkaloid | human urinary metabolite; human xenobiotic metabolite; plant metabolite; rat metabolite |
sarsasapogenin, (3beta,5alpha,25r)-isomer | [no description available] | low | 0 | 0 | sapogenin | gout suppressant; plant metabolite |
syringaresinol | [no description available] | low | 0 | 0 | aromatic ether; furofuran; lignan; polyether; polyphenol | plant metabolite |
cyclolaudenol | [no description available] | low | 0 | 0 | 3beta-hydroxy steroid; pentacyclic triterpenoid | plant metabolite |
galgravin | [no description available] | low | 0 | 0 | aryltetrahydrofuran; dimethoxybenzene; lignan; ring assembly | bone density conservation agent; neuroprotective agent; plant metabolite; platelet aggregation inhibitor |
erythrodiol | [no description available] | low | 0 | 0 | diol; pentacyclic triterpenoid; primary alcohol; secondary alcohol | plant metabolite |
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol | [no description available] | low | 0 | 0 | carbobicyclic compound; pinane monoterpenoid; secondary alcohol | GABA modulator; mouse metabolite; plant metabolite; volatile oil component |
selenomethionine | [no description available] | low | 0 | 0 | amino acid zwitterion; selenomethionine | plant metabolite |
1,9-dideoxyforskolin | [no description available] | low | 0 | 0 | acetate ester; labdane diterpenoid; organic heterotricyclic compound | plant metabolite |
triptolide | [no description available] | low | 0 | 0 | diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound | antispermatogenic agent; plant metabolite |
indospicine | [no description available] | low | 0 | 0 | carboxamidine; non-proteinogenic L-alpha-amino acid | hepatotoxic agent; plant metabolite |
nimbin | [no description available] | low | 0 | 0 | acetate ester; cyclic terpene ketone; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid | pesticide; plant metabolite |
neoeriocitrin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; neohesperidoside; trihydroxyflavanone | plant metabolite |
valerates | [no description available] | low | 0 | 0 | short-chain fatty acid anion; straight-chain saturated fatty acid anion | plant metabolite |
liquiritigenin | [no description available] | low | 0 | 0 | 4',7-dihydroxyflavanone | hormone agonist; plant metabolite |
s-sulphocysteine | [no description available] | low | 0 | 0 | organic thiosulfate; S-substituted L-cysteine | human metabolite; plant metabolite |
megestrol acetate | [no description available] | low | 0 | 0 | bridged compound; organic heterotetracyclic compound; secondary alcohol; sesquiterpene lactone; spiro compound; tertiary alcohol; tetrol | GABA antagonist; neurotoxin; phytogenic insecticide; plant metabolite |
stachydrine | [no description available] | low | 0 | 0 | alkaloid; amino-acid betaine; N-methyl-L-alpha-amino acid | food component; human blood serum metabolite; plant metabolite |
echinuline | [no description available] | low | 0 | 0 | 2,5-diketopiperazines; indole alkaloid; indoles; olefinic compound | Aspergillus metabolite; marine metabolite; plant metabolite |
hydrangenol | [no description available] | low | 0 | 0 | dihydroisocoumarins; phenols | anti-allergic agent; plant metabolite |
matairesinol | [no description available] | low | 0 | 0 | gamma-lactone; lignan; polyphenol | angiogenesis inhibitor; anti-asthmatic agent; phytoestrogen; plant metabolite |
astilbin | [no description available] | low | 0 | 0 | 3'-hydroxyflavanones; 4'-hydroxyflavanones; alpha-L-rhamnoside; flavanone glycoside; monosaccharide derivative; tetrahydroxyflavanone | anti-inflammatory agent; plant metabolite; radical scavenger |
mannopine | [no description available] | low | 0 | 0 | amino acid opine; dicarboxylic acid monoamide; hexitol derivative; L-glutamine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound | plant metabolite |
ribulose-1,5 diphosphate | [no description available] | low | 0 | 0 | ribulose phosphate | Escherichia coli metabolite; plant metabolite |
swertisin | [no description available] | low | 0 | 0 | dihydroxyflavone; flavone C-glycoside; monomethoxyflavone; monosaccharide derivative; polyphenol | adenosine A1 receptor antagonist; anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite |
senegalensin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone | antibacterial agent; plant metabolite |
glabranin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; dihydroxyflavanone | plant metabolite |
rubiadin | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | antibacterial agent; antioxidant; hepatoprotective agent; plant metabolite |
soranjidiol | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | antibacterial agent; plant metabolite |
skullcapflavone ii | [no description available] | low | 0 | 0 | dihydroxyflavone; tetramethoxyflavone | anti-asthmatic drug; plant metabolite |
tiglic acid | [no description available] | low | 0 | 0 | 2-methylbut-2-enoic acid | plant metabolite |
n-methylserotonin | [no description available] | low | 0 | 0 | phenols; tryptamines | human metabolite; plant metabolite |
lyxonic acid | [no description available] | low | 0 | 0 | lyxonic acid | plant metabolite |
kolaviron | [no description available] | low | 0 | 0 | 4'-methoxyflavanones; biflavonoid; dihydroflavonols; ring assembly; secondary alpha-hydroxy ketone | hepatoprotective agent; plant metabolite |
spinosin | [no description available] | low | 0 | 0 | dihydroxyflavone; flavone C-glycoside; monomethoxyflavone | anxiolytic drug; plant metabolite |
acrovestone | [no description available] | low | 0 | 0 | acetophenones; aromatic ether; olefinic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
cirsiliol | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | plant metabolite |
matteucinol | [no description available] | low | 0 | 0 | 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone | plant metabolite; radical scavenger |
guvacoline | [no description available] | low | 0 | 0 | alpha,beta-unsaturated carboxylic ester; beta-amino acid ester; enoate ester; methyl ester; pyridine alkaloid; secondary amino compound; tetrahydropyridine | muscarinic agonist; plant metabolite |
corytuberine | [no description available] | low | 0 | 0 | aporphine alkaloid; aromatic ether; organic heterotetracyclic compound; polyphenol; tertiary amino compound | plant metabolite |
ar-turmerone | [no description available] | low | 0 | 0 | enone; sesquiterpenoid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite |
isolariciresinol | [no description available] | low | 0 | 0 | guaiacols; lignan; polyphenol; primary alcohol | plant metabolite |
t-cadinol | [no description available] | low | 0 | 0 | cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol | plant metabolite; volatile oil component |
1-hydroxy-2-methylanthraquinone | [no description available] | low | 0 | 0 | monohydroxyanthraquinone | plant metabolite |
nevadensin | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | plant metabolite |
secologanin | [no description available] | low | 0 | 0 | aldehyde; beta-D-glucoside; enoate ester; methyl ester; pyrans; secoiridoid glycoside | plant metabolite |
columbianetin acetate | [no description available] | low | 0 | 0 | acetate ester; furanocoumarin | plant metabolite |
maprounic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | HIV-1 reverse transcriptase inhibitor; plant metabolite |
glycyrrhetyl 3-monoglucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; enone; monosaccharide derivative; oxo dicarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin | anti-allergic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human xenobiotic metabolite; plant metabolite; sweetening agent |
hydroxysitosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid | metabolite; plant metabolite |
capsidiol | [no description available] | low | 0 | 0 | eremophilane sesquiterpenoid; octahydronaphthalenes; sesquiterpene phytoalexin | antifungal agent; plant metabolite |
phaseollin (isoflavan) | [no description available] | low | 0 | 0 | hydroxyisoflavans | plant metabolite |
secoxyloganin | [no description available] | low | 0 | 0 | beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside | anti-allergic agent; antioxidant; plant metabolite |
butrin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; flavanone glycoside; monohydroxyflavanone | anti-inflammatory agent; plant metabolite |
diplopterol | [no description available] | low | 0 | 0 | hopanoid; pentacyclic triterpenoid; tertiary alcohol | plant metabolite |
confertin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide | anti-inflammatory agent; metabolite; plant metabolite |
pluviatolide | [no description available] | low | 0 | 0 | aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols | plant metabolite |
inuviscolide | [no description available] | low | 0 | 0 | gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone; tertiary alcohol | anti-inflammatory agent; plant metabolite |
(2S)-5,7-dihydroxy-6,8-dimethylflavanone | [no description available] | low | 0 | 0 | dihydroxyflavanone | EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite |
medioresinol | [no description available] | low | 0 | 0 | dimethoxybenzene; furofuran; lignan; polyphenol | plant metabolite |
(+)-epicatechin | [no description available] | low | 0 | 0 | catechin; polyphenol | cyclooxygenase 1 inhibitor; plant metabolite |
kobusin | [no description available] | low | 0 | 0 | benzodioxoles; dimethoxybenzene; furofuran; lignan | plant metabolite |
nootkatol | [no description available] | low | 0 | 0 | 6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol | plant metabolite |
dihydroresveratrol | [no description available] | low | 0 | 0 | stilbenol | plant metabolite; xenobiotic metabolite |
glycitin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative | plant metabolite |
benzyl d-glucopyranoside | [no description available] | low | 0 | 0 | benzenes; beta-D-glucoside | plant metabolite |
5-o-methyllicoricidin | [no description available] | low | 0 | 0 | aromatic ether; hydroxyisoflavans; methoxyisoflavan | antibacterial agent; plant metabolite |
pronuciferine | [no description available] | low | 0 | 0 | aromatic ether; cyclic ketone; isoquinoline alkaloid; isoquinolines; organic heterotetracyclic compound | plant metabolite |
sandaracopimaric acid | [no description available] | low | 0 | 0 | monocarboxylic acid; pimarane diterpenoid; tricyclic diterpenoid | plant metabolite |
erythritol | [no description available] | low | 0 | 0 | butane-1,2,3,4-tetrol | antioxidant; human metabolite; plant metabolite |
stigmastanol | [no description available] | low | 0 | 0 | 3-hydroxy steroid; phytosterols | anticholesteremic drug; plant metabolite |
3-octanone | [no description available] | low | 0 | 0 | dialkyl ketone | antifeedant; biomarker; fungal metabolite; human urinary metabolite; insect attractant; plant metabolite; toxin |
lanosterol | [no description available] | low | 0 | 0 | 14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid | bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
lupeol | [no description available] | low | 0 | 0 | pentacyclic triterpenoid; secondary alcohol | anti-inflammatory drug; plant metabolite |
aromaticin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | anti-inflammatory agent; metabolite; plant metabolite |
methyl 3,4-dihydroxybenzoate | [no description available] | low | 0 | 0 | catechols; methyl ester | antioxidant; neuroprotective agent; plant metabolite |
2-hydroxy-1,4-benzoxazin-3-one | [no description available] | low | 0 | 0 | benzoxazine; lactam; lactol | allelochemical; plant metabolite |
menthofuran | [no description available] | low | 0 | 0 | 1-benzofurans; monoterpenoid | nematicide; plant metabolite |
lariciresinol | [no description available] | low | 0 | 0 | aromatic ether; lignan; oxolanes; phenols; primary alcohol | antifungal agent; plant metabolite |
medicarpin | [no description available] | low | 0 | 0 | medicarpin | plant metabolite |
indole-3-acetonitrile | [no description available] | low | 0 | 0 | indoles; nitrile | auxin; human xenobiotic metabolite; plant hormone; plant metabolite |
sampangine | [no description available] | low | 0 | 0 | alkaloid; organic heterotetracyclic compound | antifungal agent; plant metabolite |
isochamaejasmin | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone | plant metabolite |
norbelladine | [no description available] | low | 0 | 0 | catechols; phenethylamine alkaloid; polyphenol; secondary amino compound | plant metabolite |
canavanine | [no description available] | low | 0 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | phytogenic insecticide; plant metabolite |
raffinose | [no description available] | low | 0 | 0 | raffinose family oligosaccharide; trisaccharide | mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
5-hydroxytryptophan | [no description available] | low | 0 | 0 | 5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; plant metabolite |
theanine | [no description available] | low | 0 | 0 | amino acid zwitterion; N(5)-alkyl-L-glutamine | geroprotector; neuroprotective agent; plant metabolite |
scopolin | [no description available] | low | 0 | 0 | beta-D-glucoside; coumarins; monosaccharide derivative | plant metabolite |
stachyose | [no description available] | low | 0 | 0 | raffinose family oligosaccharide; tetrasaccharide | mouse metabolite; plant metabolite |
isomaltulose | [no description available] | low | 0 | 0 | glycosylfructose | animal metabolite; plant metabolite; sweetening agent |
discretamine | [no description available] | low | 0 | 0 | berberine alkaloid; organic heterotetracyclic compound | EC 5.99.1.2 (DNA topoisomerase) inhibitor; plant metabolite |
pelargonidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | plant metabolite |
(+)-limonene | [no description available] | low | 0 | 0 | limonene | plant metabolite |
hygrine | [no description available] | low | 0 | 0 | 1-(1-methylpyrrolidin-2-yl)acetone; pyrrolidine alkaloid | plant metabolite |
norpseudoephedrine | [no description available] | low | 0 | 0 | amphetamines; phenethylamine alkaloid | central nervous system stimulant; plant metabolite; psychotropic drug |
sophoranone | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; dihydroxyflavanone | plant metabolite |
petunidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | plant metabolite |
3-o-(alpha-l-arabinopyranosyl)hederagenin | [no description available] | low | 0 | 0 | alpha-L-arabinopyranoside; hydroxy monocarboxylic acid; monosaccharide derivative; pentacyclic triterpenoid; triterpenoid saponin | plant metabolite |
notoginsenoside r1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antioxidant; apoptosis inducer; neuroprotective agent; phytoestrogen; plant metabolite |
2-(2-phenylethyl)chromone | [no description available] | low | 0 | 0 | benzenes; chromones | plant metabolite |
lenticin | [no description available] | low | 0 | 0 | amino-acid betaine; indole alkaloid; L-tryptophan derivative | fungal metabolite; plant metabolite; xenobiotic |
absynthin | [no description available] | low | 0 | 0 | organic heteroheptacyclic compound; sesquiterpene lactone; triterpenoid | anti-inflammatory agent; plant metabolite |
abyssinone i | [no description available] | low | 0 | 0 | monohydroxyflavanone; phenols | apoptosis inhibitor; plant metabolite |
afzelechin | [no description available] | low | 0 | 0 | catechin; tetrahydroxyflavan | EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite |
asebogenin | [no description available] | low | 0 | 0 | dihydrochalcones | plant metabolite |
lactucin | [no description available] | low | 0 | 0 | azulenofuran; cyclic terpene ketone; enone; primary alcohol; secondary alcohol; sesquiterpene lactone | antimalarial; plant metabolite; sedative |
solavetivone | [no description available] | low | 0 | 0 | cyclic ketone; sesquiterpenoid; spiro compound | phytoalexin; plant metabolite |
thujopsene | [no description available] | low | 0 | 0 | thujopsene | plant metabolite |
agnuside | [no description available] | low | 0 | 0 | benzoate ester; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; phenols; terpene glycoside | anti-inflammatory agent; cyclooxygenase 2 inhibitor; plant metabolite; pro-angiogenic agent |
dolichodial | [no description available] | low | 0 | 0 | dialdehyde; iridoid monoterpenoid; olefinic compound | animal metabolite; plant metabolite; volatile oil component |
theasinensin a | [no description available] | low | 0 | 0 | biflavonoid; gallate ester; proanthocyanidin | anti-inflammatory agent; anticoronaviral agent; apoptosis inducer; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; melanin synthesis inhibitor; plant metabolite |
5,6,7-trimethoxyflavone | [no description available] | low | 0 | 0 | trimethoxyflavone | anti-HSV-1 agent; plant metabolite |
ammodendrine | [no description available] | low | 0 | 0 | acetamides; N-acylpiperidine; piperidine alkaloid | plant metabolite; teratogenic agent |
carpaine | [no description available] | low | 0 | 0 | alkaloid; macrodiolide | cardiovascular drug; plant metabolite |
myosmine | [no description available] | low | 0 | 0 | pyridine alkaloid; pyrroline | EC 1.14.14.14 (aromatase) inhibitor; mutagen; plant metabolite |
dihydropinosylvin | [no description available] | low | 0 | 0 | diphenylethane; resorcinols | EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
ononin | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; monosaccharide derivative | plant metabolite |
yatein | [no description available] | low | 0 | 0 | benzodioxoles; butan-4-olide; lignan; methoxybenzenes | plant metabolite |
solasodine | [no description available] | low | 0 | 0 | alkaloid antibiotic; azaspiro compound; hemiaminal ether; oxaspiro compound; sapogenin; steroid alkaloid | anticonvulsant; antifungal agent; antiinfective agent; antioxidant; antipyretic; antispermatogenic agent; apoptosis inducer; cardiotonic drug; central nervous system depressant; diuretic; immunomodulator; plant metabolite; teratogenic agent |
1-alpha-terpineol | [no description available] | low | 0 | 0 | alpha-terpineol | plant metabolite |
7-deoxyloganic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; monoterpene glycoside | plant metabolite |
epiafzelechin | [no description available] | low | 0 | 0 | catechin | plant metabolite |
maleic acid | [no description available] | low | 0 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
e-z cinnamic acid | [no description available] | low | 0 | 0 | cinnamic acid | plant metabolite |
farnesol | [no description available] | low | 0 | 0 | farnesol | plant metabolite |
retinol | [no description available] | low | 0 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
oleic acid | [no description available] | low | 0 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
cocaine | [no description available] | low | 0 | 0 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
lycopene | [no description available] | low | 0 | 0 | acyclic carotene | antioxidant; plant metabolite |
benzoylecgonine | [no description available] | low | 0 | 0 | benzoate ester; tropane alkaloid | epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite |
zeatin | [no description available] | low | 0 | 0 | zeatin | plant metabolite |
gamma-sitosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols | marine metabolite; plant metabolite |
costatolide | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; organic heterotetracyclic compound; secondary alcohol | HIV-1 reverse transcriptase inhibitor; plant metabolite |
euscaphic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid; triol | plant metabolite |
cinnamtannin b-1 | [no description available] | low | 0 | 0 | proanthocyanidin | cyclooxygenase 2 inhibitor; plant metabolite |
meso-dihydroguaiaretic acid | [no description available] | low | 0 | 0 | guaiacols; lignan | plant metabolite |
8-prenylnaringenin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone | plant metabolite; platelet aggregation inhibitor |
gancaonin I | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; resorcinols | antibacterial agent; plant metabolite |
6,8-diprenylgenistein | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antibacterial agent; plant metabolite |
glycyrin | [no description available] | low | 0 | 0 | aromatic ether; coumarins; hydroxyisoflavans | antibacterial agent; metabolite; plant metabolite |
glyasperin D | [no description available] | low | 0 | 0 | aromatic ether; hydroxyisoflavans; methoxyisoflavan | plant metabolite |
licoricidin | [no description available] | low | 0 | 0 | aromatic ether; hydroxyisoflavans; methoxyisoflavan | antibacterial agent; plant metabolite |
pallidol | [no description available] | low | 0 | 0 | carbopolycyclic compound; polyphenol; stilbenoid | antifungal agent; antioxidant; plant metabolite |
egonol | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; benzodioxoles; primary alcohol | plant metabolite |
23-hydroxytormentic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid; tetrol | anti-inflammatory agent; plant metabolite |
riboflavin | [no description available] | low | 0 | 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 |
licocoumarone | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; resorcinols | antibacterial agent; apoptosis inducer; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
likviriton | [no description available] | low | 0 | 0 | beta-D-glucoside; flavanone glycoside; monohydroxyflavanone; monosaccharide derivative | anti-inflammatory agent; anticoronaviral agent; plant metabolite |
sodium benzoate | [no description available] | low | 0 | 0 | organic sodium salt | 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 |
3-mercaptohexanol | [no description available] | low | 0 | 0 | alkanethiol; primary alcohol | flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite |
3'-methoxyflavone | [no description available] | low | 0 | 0 | 3'-methoxyflavones | plant metabolite |
piperlactam s | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols | anti-inflammatory agent; antioxidant; plant metabolite |
piperyline | [no description available] | low | 0 | 0 | benzodioxoles; N-acylpyrrolidine; pyrrolidine alkaloid; tertiary carboxamide | antifungal agent; apoptosis inducer; plant metabolite |
crotonic acid | [no description available] | low | 0 | 0 | 2-butenoic acid | plant metabolite |
cinnamaldehyde | [no description available] | low | 0 | 0 | 3-phenylprop-2-enal; cinnamaldehydes | antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent |
methyl cinnamate | [no description available] | low | 0 | 0 | methyl cinnamate | antibacterial agent; fungal metabolite; nematicide; plant metabolite |
trans-4-coumaric acid | [no description available] | low | 0 | 0 | 4-coumaric acid | food component; mouse metabolite; plant metabolite |
2,4-hexadienal | [no description available] | low | 0 | 0 | hexadienal; polyunsaturated fatty aldehyde; volatile organic compound | flavouring agent; plant metabolite |
geraniol | [no description available] | low | 0 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
epipinoresinol | [no description available] | low | 0 | 0 | pinoresinol | marine metabolite; plant metabolite |
sinapinic acid | [no description available] | low | 0 | 0 | sinapic acid | MALDI matrix material; plant metabolite |
citral | [no description available] | low | 0 | 0 | enal; monoterpenoid; polyprenal | plant metabolite; volatile oil component |
squalene | [no description available] | low | 0 | 0 | triterpene | human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
coumestan | [no description available] | low | 0 | 0 | coumestans; delta-lactone | phytoestrogen; plant metabolite |
p-hydroxycinnamaldehyde | [no description available] | low | 0 | 0 | cinnamaldehydes | apoptosis inducer; EC 1.14.13.39 (nitric oxide synthase) inhibitor; plant metabolite |
n-methylproline | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; L-proline derivative; tertiary amino compound | human metabolite; plant metabolite |
pedilstatin | [no description available] | low | 0 | 0 | acetate ester; phorbol ester; primary allylic alcohol | plant metabolite |
nerol | [no description available] | low | 0 | 0 | 3,7-dimethylocta-2,6-dien-1-ol | fragrance; plant metabolite; volatile oil component |
dehydrovomifoliol | [no description available] | low | 0 | 0 | dehydrovomifoliol | plant metabolite |
isoeugenol | [no description available] | low | 0 | 0 | isoeugenol | plant metabolite |
huperzine a | [no description available] | low | 0 | 0 | organic heterotricyclic compound; primary amino compound; pyridone; sesquiterpene alkaloid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent; nootropic agent; plant metabolite |
nootkatone | [no description available] | low | 0 | 0 | carbobicyclic compound; enone; sesquiterpenoid | fragrance; insect repellent; plant metabolite |
geranyl acetate | [no description available] | low | 0 | 0 | acetate ester; monoterpenoid | plant metabolite |
coniferyl alcohol | [no description available] | low | 0 | 0 | guaiacols; phenylpropanoid | animal metabolite; monolignol; mouse metabolite; pheromone; plant metabolite; volatile oil component |
geranylacetone | [no description available] | low | 0 | 0 | monoterpene ketone | flavouring agent; fragrance; plant metabolite; volatile oil component |
goitrin | [no description available] | low | 0 | 0 | 5-ethenyl-1,3-oxazolidine-2-thione | antiviral agent; plant metabolite |
7-deacetylgedunin | [no description available] | low | 0 | 0 | cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid | anti-inflammatory agent; antimalarial; metabolite; plant metabolite |
2-oxindole-3-acetic acid | [no description available] | low | 0 | 0 | indole-3-acetic acids; monocarboxylic acid; oxindoles | plant metabolite |
cyclanoline | [no description available] | low | 0 | 0 | berberine alkaloid; quaternary ammonium ion | EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite |
sideroxylin | [no description available] | low | 0 | 0 | dihydroxyflavone; monomethoxyflavone | plant metabolite |
ladanein | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | antiviral agent; plant metabolite; radical scavenger |
t-muurolol | [no description available] | low | 0 | 0 | cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol | bacterial metabolite; fungicide; marine metabolite; plant metabolite; volatile oil component |
alpha-carotene | [no description available] | low | 0 | 0 | carotenoid beta-end derivative; cyclic carotene | plant metabolite; provitamin A |
citramalate | [no description available] | low | 0 | 0 | dicarboxylic acid dianion | human metabolite; plant metabolite |
fraxin | [no description available] | low | 0 | 0 | aromatic ether; beta-D-glucoside; hydroxycoumarin | anti-inflammatory agent; hepatoprotective agent; plant metabolite |
decaprenoic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; methyl-branched fatty acid; monoterpenoid; polyunsaturated fatty acid | antifungal agent; EC 1.14.18.1 (tyrosinase) inhibitor; melanin synthesis inhibitor; pheromone; plant metabolite |
gallocatechin-3-gallate | [no description available] | low | 0 | 0 | catechin; gallate ester; polyphenol | plant metabolite |
coniferin | [no description available] | low | 0 | 0 | aromatic ether; cinnamyl alcohol beta-D-glucoside; monosaccharide derivative | plant metabolite |
gibberellin a1 | [no description available] | low | 0 | 0 | C19-gibberellin; gibberellin monocarboxylic acid; lactone | plant metabolite |
leukotriene a4 | [no description available] | low | 0 | 0 | epoxy fatty acid; leukotriene; long-chain fatty acid; oxylipin; polyunsaturated fatty acid | human metabolite; mouse metabolite; plant metabolite |
sinapine | [no description available] | low | 0 | 0 | acylcholine | antioxidant; photosynthetic electron-transport chain inhibitor; plant metabolite |
trans-phytol | [no description available] | low | 0 | 0 | diterpenoid; long-chain primary fatty alcohol | algal metabolite; plant metabolite; schistosomicide drug |
beta carotene | [no description available] | low | 0 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
leukotriene b4 | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
coniferaldehyde | [no description available] | low | 0 | 0 | cinnamaldehydes; guaiacols; phenylpropanoid | antifungal agent; plant metabolite |
5'-o-caffeoylquinic acid | [no description available] | low | 0 | 0 | cinnamate ester; cyclitol carboxylic acid | plant metabolite |
luteolin-7-glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antioxidant; plant metabolite |
gossypetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | plant metabolite |
ayanin | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | plant metabolite |
apiin | [no description available] | low | 0 | 0 | beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone | EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite |
(all-e) phytoene | [no description available] | low | 0 | 0 | phytoene | plant metabolite |
vitamin d 2 | [no description available] | low | 0 | 0 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
stigmasterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol | plant metabolite |
sinapaldehyde | [no description available] | low | 0 | 0 | cinnamaldehydes; dimethoxybenzene; phenols | antifungal agent; plant metabolite |
3-methylkaempferol | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | plant metabolite |
abscisic acid | [no description available] | low | 0 | 0 | 2-cis-abscisic acid | plant hormone; plant metabolite |
gamma-linolenic acid | [no description available] | low | 0 | 0 | linolenic acid; omega-6 fatty acid | human metabolite; mouse metabolite; plant metabolite |
petroselinic acid | [no description available] | low | 0 | 0 | octadec-6-enoic acid | plant metabolite |
jasmonic acid | [no description available] | low | 0 | 0 | oxo monocarboxylic acid | jasmonates; plant metabolite |
2-hexenal, z-isomer | [no description available] | low | 0 | 0 | 2-hexenal | antibacterial agent; flavouring agent; plant metabolite |
aureusidin | [no description available] | low | 0 | 0 | hydroxyaurone | plant metabolite |
antheraxanthin | [no description available] | low | 0 | 0 | epoxycarotenol | biological pigment; marine metabolite; plant metabolite |
astaxanthine | [no description available] | low | 0 | 0 | carotenol; carotenone | animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite |
capsanthin | [no description available] | low | 0 | 0 | carotenone | plant metabolite |
cryptoxanthins | [no description available] | low | 0 | 0 | carotenol | antioxidant; biomarker; plant metabolite; provitamin A |
lutein | [no description available] | low | 0 | 0 | carotenol | food colouring; plant metabolite |
hispidol | [no description available] | low | 0 | 0 | hydroxyaurone | plant metabolite |
isobutrin | [no description available] | low | 0 | 0 | beta-D-glucoside; chalcones; monosaccharide derivative; phenols | anti-inflammatory agent; hepatoprotective agent; plant metabolite |
cassaine | [no description available] | low | 0 | 0 | enoate ester; organic hydroxy compound; tertiary amino compound; tricyclic diterpenoid | antihypertensive agent; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; local anaesthetic; plant metabolite; poison |
okanin | [no description available] | low | 0 | 0 | benzenetriol; chalcones | plant metabolite |
brassicasterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | algal metabolite; animal metabolite; biomarker; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; human metabolite; marine metabolite; plant metabolite; sterol biosynthesis inhibitor |
harman | [no description available] | low | 0 | 0 | harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
esculetin | [no description available] | low | 0 | 0 | hydroxycoumarin | antioxidant; plant metabolite; ultraviolet filter |
7-hydroxycoumarin | [no description available] | low | 0 | 0 | hydroxycoumarin | fluorescent probe; food component; plant metabolite |
petasin | [no description available] | low | 0 | 0 | alicyclic ketone; enoate ester; enone; sesquiterpenoid | anti-allergic agent; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator; plant metabolite; vasodilator agent |
amentoflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite |
apigenin dimethylether | [no description available] | low | 0 | 0 | dimethoxyflavone; monohydroxyflavone | plant metabolite |
axillarin | [no description available] | low | 0 | 0 | dimethoxyflavone; tetrahydroxyflavone | plant metabolite |
azaleatin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | plant metabolite |
chrysosplenetin b | [no description available] | low | 0 | 0 | dihydroxyflavone; tetramethoxyflavone | antiviral agent; plant metabolite |
gossypin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone | neuroprotective agent; plant metabolite |
euxanthone | [no description available] | low | 0 | 0 | phenols; xanthones | metabolite; plant metabolite |
gentiacaulein | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | plant metabolite |
gentisein | [no description available] | low | 0 | 0 | polyphenol; xanthones | plant metabolite |
gentisin | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | plant metabolite |
isogentisin | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
hyperoside | [no description available] | low | 0 | 0 | beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | hepatoprotective agent; plant metabolite |
1,8-dihydroxy-3,7-dimethoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | plant metabolite |
1,2,8-trihydroxy-6-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | antioxidant; plant metabolite |
kuwanon g | [no description available] | low | 0 | 0 | resorcinols; tetrahydroxyflavone | anti-inflammatory agent; plant metabolite |
kuwanon h | [no description available] | low | 0 | 0 | resorcinols; tetrahydroxyflavone | plant metabolite |
myricitrin | [no description available] | low | 0 | 0 | alpha-L-rhamnoside; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone | anti-allergic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite |
pachypodol | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | antiemetic; plant metabolite |
quercetagetin | [no description available] | low | 0 | 0 | flavonols; hexahydroxyflavone | antioxidant; antiviral agent; plant metabolite |
robinin | [no description available] | low | 0 | 0 | dihydroxyflavone; glycosyloxyflavone | plant metabolite |
santin | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | plant metabolite |
7-hydroxy-6,4'-dimethoxyisoflavone | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | plant metabolite |
genistein-8-c-glucoside | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones; C-glycosyl compound | plant metabolite |
5-o-caffeoylshikimic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; carboxylic ester; catechols; cyclohexenecarboxylic acid | plant metabolite |
cynarine | [no description available] | low | 0 | 0 | alkyl caffeate ester; quinic acid | plant metabolite |
iridin | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative | plant metabolite |
acteoside | [no description available] | low | 0 | 0 | catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol | anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite |
orobol | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | anti-inflammatory agent; fungal metabolite; plant metabolite; radical scavenger |
psi-baptigenin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones; benzodioxoles | antiprotozoal drug; plant metabolite |
psoralidin | [no description available] | low | 0 | 0 | coumestans; delta-lactone; polyphenol | estrogen receptor agonist; plant metabolite |
puerarin | [no description available] | low | 0 | 0 | C-glycosyl compound; hydroxyisoflavone | plant metabolite |
tectoridin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative | plant metabolite |
tectorigenin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones; methoxyisoflavone | anti-inflammatory agent; plant metabolite |
wighteone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antifungal agent; plant metabolite |
savinin | [no description available] | low | 0 | 0 | benzodioxoles; gamma-lactone; lignan | anti-inflammatory agent; anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite; T-cell proliferation inhibitor |
2'-hydroxygenistein | [no description available] | low | 0 | 0 | hydroxyisoflavone | plant metabolite |
astragalin | [no description available] | low | 0 | 0 | beta-D-glucoside; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone | plant metabolite; trypanocidal drug |
cinnamyl acetate | [no description available] | low | 0 | 0 | acetate ester | plant metabolite |
kaempferol-3-o-galactoside | [no description available] | low | 0 | 0 | beta-D-galactoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antifungal agent; plant metabolite |
kaempferol 3-o-sophoroside | [no description available] | low | 0 | 0 | sophoroside; trihydroxyflavone | plant metabolite |
quercetin-3-o-sophoroside | [no description available] | low | 0 | 0 | sophoroside; tetrahydroxyflavone | antioxidant; plant metabolite |
ethyl linoleate | [no description available] | low | 0 | 0 | long-chain fatty acid ethyl ester | anti-inflammatory agent; plant metabolite |
sofalcone | [no description available] | low | 0 | 0 | aromatic ether; chalcones; monocarboxylic acid | anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite |
xanthoxin | [no description available] | low | 0 | 0 | apo carotenoid sesquiterpenoid; enal | plant growth retardant; plant metabolite |
tocotrienol, alpha | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | ferroptosis inhibitor; human metabolite; neuroprotective agent; plant metabolite |
4-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones; phenols | antihypertensive agent; plant metabolite |
9-hydroxy-10,12-octadecadienoic acid | [no description available] | low | 0 | 0 | HODE; octadecadienoic acid | human metabolite; metabolite; mouse metabolite; plant metabolite |
2-heptenal | [no description available] | low | 0 | 0 | enal; medium-chain fatty aldehyde; monounsaturated fatty aldehyde | plant metabolite; uremic toxin |
2-nonenal, (trans)-isomer | [no description available] | low | 0 | 0 | enal; medium-chain fatty aldehyde; monounsaturated fatty aldehyde | plant metabolite |
oleylamide | [no description available] | low | 0 | 0 | primary fatty amide | human metabolite; plant metabolite |
1-monooleoyl-rac-glycerol | [no description available] | low | 0 | 0 | 1-acylglycerol 18:1; monooleoylglycerol | plant metabolite |
monolinolein | [no description available] | low | 0 | 0 | 1-acylglycerol 18:2; rac-1-monoacylglycerol | antiviral agent; human metabolite; plant metabolite |
methyl linoleate | [no description available] | low | 0 | 0 | fatty acid methyl ester | plant metabolite |
vitamin k 1 | [no description available] | low | 0 | 0 | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
morphine | [no description available] | low | 0 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
delta(3)-hexadecenoic acid | [no description available] | low | 0 | 0 | hexadecenoic acid | plant metabolite |
stearidonic acid | [no description available] | low | 0 | 0 | long-chain fatty acid; octadecatetraenoic acid; omega-3 fatty acid | Daphnia galeata metabolite; mouse metabolite; plant metabolite |
juniperonic acid | [no description available] | low | 0 | 0 | icosatetraenoic acid | plant metabolite |
casticin | [no description available] | low | 0 | 0 | dihydroxyflavone; tetramethoxyflavone | apoptosis inducer; plant metabolite |
rosmarinic acid | [no description available] | low | 0 | 0 | carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor |
cannabigerol | [no description available] | low | 0 | 0 | phytocannabinoid; resorcinols | anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite |
cinnamyl alcohol | [no description available] | low | 0 | 0 | cinnamyl alcohol | plant metabolite |
7-demethylsuberosin | [no description available] | low | 0 | 0 | hydroxycoumarin | plant metabolite |
kaempferol 3-o-rhamnoside | [no description available] | low | 0 | 0 | glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | anti-inflammatory agent; antibacterial agent; plant metabolite |
syringin | [no description available] | low | 0 | 0 | beta-D-glucoside; dimethoxybenzene; monosaccharide derivative; primary alcohol | hepatoprotective agent; plant metabolite |
glycitein | [no description available] | low | 0 | 0 | 7-hydroxyisoflavone; methoxyisoflavone | fungal metabolite; phytoestrogen; plant metabolite |
glycycoumarin | [no description available] | low | 0 | 0 | aromatic ether; coumarins; resorcinols | antispasmodic drug; plant metabolite |
quadrangularin a | [no description available] | low | 0 | 0 | indanes; polyphenol; stilbenoid | antioxidant; plant metabolite |
isomangiferin | [no description available] | low | 0 | 0 | C-glycosyl compound; polyphenol; xanthones | anti-HSV-1 agent; plant metabolite |
isosalipurposide | [no description available] | low | 0 | 0 | beta-D-glucoside; chalcones; monosaccharide derivative; resorcinols | antioxidant; plant metabolite |
kaempferol-3-o-rutinoside | [no description available] | low | 0 | 0 | disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone | metabolite; plant metabolite; radical scavenger |
luteolin 4'-o-glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | plant metabolite |
methyl linolenate | [no description available] | low | 0 | 0 | fatty acid methyl ester | insect attractant; plant metabolite |
3'-o-methylorobol | [no description available] | low | 0 | 0 | hydroxyisoflavone; methoxyisoflavone | plant metabolite |
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone | [no description available] | low | 0 | 0 | trihydroxyanthraquinone | plant metabolite |
muromonab-cd3 | [no description available] | low | 0 | 0 | extended flavonoid; pyranochromane; trihydroxyflavone | anti-inflammatory agent; plant metabolite |
beta-ocimene | [no description available] | low | 0 | 0 | beta-ocimene | plant metabolite |
ombuine | [no description available] | low | 0 | 0 | dimethoxyflavone; flavonols; trihydroxyflavone | anti-inflammatory agent; plant metabolite |
osthenol | [no description available] | low | 0 | 0 | hydroxycoumarin | antifungal agent; plant metabolite |
5,7-dihydroxy-4',6-dimethoxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | plant metabolite |
tiliroside | [no description available] | low | 0 | 0 | cinnamate ester; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | plant metabolite |
kaempferol-7-methyl ether | [no description available] | low | 0 | 0 | flavonols; monomethoxyflavone; trihydroxyflavone | plant metabolite |
7,8-dimethylalloxazine | [no description available] | low | 0 | 0 | 7,8-dimethylbenzo[g]pteridine-2,4-dione | plant metabolite |
ergothioneine | [no description available] | low | 0 | 0 | 1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid | antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite |
5-hydroxy-3,3',4',7-tetramethoxyflavone | [no description available] | low | 0 | 0 | 3'-methoxyflavones; monohydroxyflavone; tetramethoxyflavone | plant metabolite |
methyl 2,5-dihydroxycinnamate | [no description available] | low | 0 | 0 | cinnamate ester; hydroquinones; methyl ester | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; geroprotector; human urinary metabolite; plant metabolite |
methyl ferulate | [no description available] | low | 0 | 0 | cinnamate ester; guaiacols; methyl ester | plant metabolite |
lichexanthone | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | plant metabolite |
ethyl oleate | [no description available] | low | 0 | 0 | long-chain fatty acid ethyl ester | acaricide; plant metabolite |
2-pentenal | [no description available] | low | 0 | 0 | 2-pentenal | plant metabolite |
erucyl amide | [no description available] | low | 0 | 0 | 13-docosenamide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite; mammalian metabolite; plant metabolite; rat metabolite |
beta-damascenone | [no description available] | low | 0 | 0 | apo carotenoid monoterpenoid; cyclic monoterpene ketone; enone | fragrance; plant metabolite; volatile oil component |
piperic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; benzodioxoles | plant metabolite |
pipercallosidine | [no description available] | low | 0 | 0 | alkaloid; benzodioxoles; enamide; secondary carboxamide | apoptosis inducer; metabolite; plant metabolite |
dehydrodiconiferyl alcohol | [no description available] | low | 0 | 0 | 1-benzofurans; guaiacols; guaiacyl lignin; primary alcohol | anti-inflammatory agent; plant metabolite |
noreugenin | [no description available] | low | 0 | 0 | chromones; resorcinols | plant metabolite |
decussatin | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | plant metabolite |
irigenin | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; hydroxyisoflavone | plant metabolite |
5,4'-dihydroxy-7,3'-dimethoxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | anti-allergic agent; anti-inflammatory agent; antibacterial agent; antioxidant; melanin synthesis inhibitor; plant metabolite |
1,7-dihydroxy-4-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | metabolite; plant metabolite |
tetrahydroxycurcumin | [no description available] | low | 0 | 0 | beta-diketone; catechols; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; neuroprotective agent; plant metabolite |
semilicoisoflavone b | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | EC 1.1.1.21 (aldehyde reductase) inhibitor; plant metabolite |
quercetin 3-sambubioside | [no description available] | low | 0 | 0 | disaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antioxidant; plant metabolite |
avicularin | [no description available] | low | 0 | 0 | alpha-L-arabinofuranoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | hepatoprotective agent; plant metabolite |
ochnaflavone | [no description available] | low | 0 | 0 | aromatic ether; biflavonoid; hydroxyflavone | anti-inflammatory agent; antiatherogenic agent; antibacterial agent; EC 3.1.1.4 (phospholipase A2) inhibitor; leukotriene antagonist; plant metabolite |
isowighteone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | plant metabolite |
triolein | [no description available] | low | 0 | 0 | triglyceride | Caenorhabditis elegans metabolite; plant metabolite |
resiniferatoxin | [no description available] | low | 0 | 0 | carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone | analgesic; neurotoxin; plant metabolite; TRPV1 agonist |
4-hydroxycordoin | [no description available] | low | 0 | 0 | aromatic ether; chalcones; polyphenol | anti-inflammatory agent; antibacterial agent; plant metabolite |
n-feruloylserotonin | [no description available] | low | 0 | 0 | aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide | plant metabolite |
zosteric acid | [no description available] | low | 0 | 0 | aryl sulfate; cinnamic acids | antifouling biocide; plant metabolite |
eupomatenoid 6 | [no description available] | low | 0 | 0 | benzofurans; phenols | anti-inflammatory agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; NF-kappaB inhibitor; plant metabolite |
amaranthin betacyanin | [no description available] | low | 0 | 0 | disaccharide derivative; indoles; olefinic compound; tetrahydropyridine | biological pigment; plant metabolite |
mevalonolactone | [no description available] | low | 0 | 0 | 4-hydroxy-4-methyloxan-2-one | fungal metabolite; plant metabolite |
salannin | [no description available] | low | 0 | 0 | acetate ester; furans; limonoid; methyl ester; organic heteropentacyclic compound | antifeedant; insect growth regulator; plant metabolite |
thunberginol f | [no description available] | low | 0 | 0 | catechols; gamma-lactone; isobenzofuranone | metabolite; plant metabolite |
9-hydroxy-10,12,15-octadecatrienoic acid | [no description available] | low | 0 | 0 | 9-HOTrE | plant metabolite |
valerenic acid | [no description available] | low | 0 | 0 | carbobicyclic compound; monocarboxylic acid; sesquiterpenoid | GABA modulator; plant metabolite; sedative; volatile oil component |
zeatin riboside | [no description available] | low | 0 | 0 | 9-ribosylzeatin; nucleoside analogue | cytokinin; plant metabolite |
acuminatin | [no description available] | low | 0 | 0 | 1-benzofurans; dimethoxybenzene; neolignan; olefinic compound; ring assembly | fungal metabolite; plant metabolite |
cucurbitacin I 2-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside; cucurbitacin; monosaccharide derivative; tertiary alpha-hydroxy ketone; triterpenoid saponin | plant metabolite |
perflubron | [no description available] | low | 0 | 0 | 2-acyl-4-prenylphloroglucinol; chalcones | plant metabolite |
tuberonic acid | [no description available] | low | 0 | 0 | cyclopentanones; homoallylic alcohol; oxo monocarboxylic acid; primary alcohol | jasmonates; plant metabolite |
trilobatin | [no description available] | low | 0 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | anti-inflammatory agent; antioxidant; plant metabolite; sweetening agent |
2',4',6'-trihydroxychalcone | [no description available] | low | 0 | 0 | chalcones | antifungal agent; plant metabolite |
beta-tocopherol | [no description available] | low | 0 | 0 | tocopherol; vitamin E | food component; plant metabolite |
nyasol | [no description available] | low | 0 | 0 | 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene | plant metabolite |
ginsenoside rb2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antiviral agent; hypoglycemic agent; plant metabolite |
yunaconitine | [no description available] | low | 0 | 0 | acetate ester; aromatic ether; benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound | antifeedant; human urinary metabolite; phytotoxin; plant metabolite; xenobiotic |
3-tyrosine | [no description available] | low | 0 | 0 | hydroxyphenylalanine; L-alpha-amino acid zwitterion; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; phenols | plant metabolite |
3-O-feruloyl-D-quinic acid | [no description available] | low | 0 | 0 | enoate ester; quinic acid | plant metabolite |
ginsenoside f1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; 6alpha-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | apoptosis inhibitor; plant metabolite |
capsiate | [no description available] | low | 0 | 0 | carboxylic ester; monomethoxybenzene; phenols | angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite |
p-coumaric acid glucoside | [no description available] | low | 0 | 0 | 4-O-beta-D-glucosyl-4-coumaric acid | plant metabolite |
nicotianamine | [no description available] | low | 0 | 0 | amino acid zwitterion; nicotianamine | chelator; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; plant metabolite |
ginsenoside rb1 | [no description available] | low | 0 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger |
6''-o-malonyldaidzin | [no description available] | low | 0 | 0 | glycosyloxyisoflavone; hydroxyisoflavone; malonate ester; monosaccharide derivative | plant metabolite |
hetacillin | [no description available] | low | 0 | 0 | guaiacols; lignan; oxolanes; polyphenol; tetrol | plant metabolite |
kaempferol 7-o-glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone | metabolite; plant metabolite; radical scavenger |
3-epi-fagomine | [no description available] | low | 0 | 0 | amino monosaccharide; hydroxypiperidine; primary alcohol; secondary alcohol; secondary amino compound; triol | EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor; EC 3.2.1.23 (beta-galactosidase) inhibitor; plant metabolite |
akuammicine | [no description available] | low | 0 | 0 | methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | plant metabolite |
demethylzeylasteral | [no description available] | low | 0 | 0 | arenecarbaldehyde; benzenediols; carbopolycyclic compound; cyclic ketone; enone; oxo monocarboxylic acid | anti-inflammatory agent; EC 2.4.1.17 (glucuronosyltransferase) inhibitor; immunosuppressive agent; nephroprotective agent; plant metabolite |
alpha-cadinol | [no description available] | low | 0 | 0 | cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol | fungicide; plant metabolite; volatile oil component |
11-hydroxysugiol | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; catechols; cyclic terpene ketone; meroterpenoid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
triptohypol C | [no description available] | low | 0 | 0 | benzenediols; monocarboxylic acid; pentacyclic triterpenoid | apoptosis inducer; plant metabolite |
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone | [no description available] | low | 0 | 0 | chalcones; monomethoxybenzene; resorcinols | EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite |
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one | [no description available] | low | 0 | 0 | diarylheptanoid; enone; phenols | plant metabolite |
6-deacetylnimbin | [no description available] | low | 0 | 0 | cyclic terpene ketone; diester; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid | antifeedant; insect growth regulator; plant metabolite |
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one | [no description available] | low | 0 | 0 | diarylheptanoid; enone; phenols | plant metabolite |
2,3-dihydro-3beta-methoxy withaferin A | [no description available] | low | 0 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | metabolite; plant metabolite |
dihydroartemisinic acid | [no description available] | low | 0 | 0 | carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid | plant metabolite |
atractyligenine | [no description available] | low | 0 | 0 | carbotetracyclic compound; dihydroxy monocarboxylic acid; ent-kaurane diterpenoid; tetracyclic diterpenoid | plant metabolite |
dihydrogenistin | [no description available] | low | 0 | 0 | beta-D-glucoside; hydroxyisoflavanone; monosaccharide derivative | plant metabolite |
n-benzylhexadecanamide | [no description available] | low | 0 | 0 | macamide; secondary carboxamide | EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; neuroprotective agent; plant metabolite |
triphosphate | [no description available] | low | 0 | 0 | aldehyde; indole alkaloid; organic heteropentacyclic compound | plant metabolite |
aspalathin | [no description available] | low | 0 | 0 | C-glycosyl compound; catechols; dihydrochalcones; polyketide; polyphenol | antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; hypoglycemic agent; plant metabolite |
glyceryl ferulate | [no description available] | low | 0 | 0 | 1-monoglyceride; aromatic ether; enoate ester; phenols | antioxidant; plant metabolite; ultraviolet filter |
quinine | [no description available] | low | 0 | 0 | Aspidosperma alkaloid; epoxide; methyl ester; monoterpenoid indole alkaloid; organic heterohexacyclic compound | plant metabolite |
alpha-onocerin | [no description available] | low | 0 | 0 | diol; olefinic compound; secondary alcohol; triterpenoid | plant metabolite |
kalopanax saponin b | [no description available] | low | 0 | 0 | carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; plant metabolite |
ginsenoside rd | [no description available] | low | 0 | 0 | beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | anti-inflammatory drug; apoptosis inducer; immunosuppressive agent; neuroprotective agent; plant metabolite; vulnerary |
(+)-dehydrodiconiferyl alcohol | [no description available] | low | 0 | 0 | dehydrodiconiferyl alcohol | antioxidant; plant metabolite |
viridiflorol | [no description available] | low | 0 | 0 | carbotricyclic compound; sesquiterpenoid; tertiary alcohol | anti-inflammatory agent; antifeedant; antimycobacterial drug; plant metabolite; volatile oil component |
morelloflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavanone; hydroxyflavone | plant metabolite |
2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
azadiradione | [no description available] | low | 0 | 0 | acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid | anti-inflammatory agent; antimycobacterial drug; plant metabolite |
(-)-pinoresinol | [no description available] | low | 0 | 0 | pinoresinol | plant metabolite |
oplodiol | [no description available] | low | 0 | 0 | carbobicyclic compound; octahydronaphthalenes; secondary alcohol; sesquiterpenoid; tertiary alcohol | plant metabolite |
roburic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; olefinic compound; tetracyclic triterpenoid | plant metabolite |
ginsenoside rc | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | hypoglycemic agent; plant metabolite |
ginsenoside rh1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | plant metabolite |
ginsenoside rb3 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antidepressant; antioxidant; cardioprotective agent; neuroprotective agent; NMDA receptor antagonist; plant metabolite |
astragaloside IV | [no description available] | low | 0 | 0 | pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; antioxidant; EC 4.2.1.1 (carbonic anhydrase) inhibitor; neuroprotective agent; plant metabolite; pro-angiogenic agent |
1-O-feruloyl-beta-D-glucose | [no description available] | low | 0 | 0 | aromatic ether; beta-D-glucoside; cinnamate ester; phenols | antioxidant; plant metabolite |
astragaloside ii | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; oxolanes; pentacyclic triterpenoid; triterpenoid saponin | plant metabolite |
23-hydroxyursolic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
dihydroconiferyl alcohol glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside; monomethoxybenzene; monosaccharide derivative; primary alcohol | plant metabolite |
oroxylin a-7-o-glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; glycosyloxyflavone; monohydroxyflavone; monomethoxyflavone; monosaccharide derivative | plant metabolite |
5-deoxystrigol | [no description available] | low | 0 | 0 | indenofuran; strigolactone | plant metabolite |
2,3-dihydrowithaferin A | [no description available] | low | 0 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | plant metabolite |
vibsanin b | [no description available] | low | 0 | 0 | cyclic terpene ketone; enone; tertiary alcohol; vibsane diterpenoid | plant growth retardant; plant metabolite |
malonylgenistin | [no description available] | low | 0 | 0 | beta-D-glucoside; glycosyloxyisoflavone; hydroxyisoflavone; malonate ester; monosaccharide derivative | plant metabolite |
niga-ichigoside f1 | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; pentacyclic triterpenoid; tetrol; triterpenoid saponin | plant metabolite |
cinnamtannin a2 | [no description available] | low | 0 | 0 | proanthocyanidin | plant metabolite |
benzoylaconine | [no description available] | low | 0 | 0 | benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol | phytotoxin; plant metabolite |
miltiradiene | [no description available] | low | 0 | 0 | abietadiene; carbotricyclic compound | plant metabolite |
tricin 4'-o-(threo-beta-guaiacylglyceryl) ether | [no description available] | low | 0 | 0 | dimethoxybenzene; flavonolignan; polyphenol; primary alcohol; secondary alcohol | plant metabolite |
triptotriterpenic acid a | [no description available] | low | 0 | 0 | diol; hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
cycloeucalenone | [no description available] | low | 0 | 0 | 3-oxo-5alpha-steroid; cyclic terpene ketone; pentacyclic triterpenoid | plant metabolite |
deoxyaconitine | [no description available] | low | 0 | 0 | acetate ester; benzoate ester; bridged compound; diol; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary amino compound | plant metabolite |
ginsenoside rg2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | anticoagulant; cardioprotective agent; plant metabolite |
cauloside D | [no description available] | low | 0 | 0 | carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; plant metabolite |
oxypaeoniflora | [no description available] | low | 0 | 0 | 4-hydroxybenzoate ester; beta-D-glucoside; bridged compound; cyclic acetal; lactol; monoterpene glycoside | plant metabolite |
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one | [no description available] | low | 0 | 0 | aromatic ether; homoisoflavonoid; polyphenol | angiogenesis modulating agent; plant metabolite |
vindolinine | [no description available] | low | 0 | 0 | methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | plant metabolite |
rubusoside | [no description available] | low | 0 | 0 | beta-D-glucoside; bridged compound; steviol glycoside; tetracyclic diterpenoid | plant metabolite; sweetening agent |
madecassoside | [no description available] | low | 0 | 0 | carboxylic ester; pentacyclic triterpenoid; trisaccharide derivative; triterpenoid saponin | anti-inflammatory agent; antioxidant; antirheumatic drug; plant metabolite; vulnerary |
benzoylmesaconine | [no description available] | low | 0 | 0 | benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol | analgesic; antiinfective agent; plant metabolite |
albiflorin | [no description available] | low | 0 | 0 | benzoate ester; beta-D-glucoside; bridged compound; gamma-lactone; monoterpene glycoside; secondary alcohol | neuroprotective agent; plant metabolite |
6-tuliposide b | [no description available] | low | 0 | 0 | 6-O-acyl-D-glucose; enoate ester | antibacterial agent; antifungal agent; plant metabolite |
quercetin 3-o-glucoside-7-o-rhamnoside | [no description available] | low | 0 | 0 | beta-D-glucoside; quercetin O-glucoside; trihydroxyflavone | plant metabolite; trypanocidal drug |
10-nonacosanol | [no description available] | low | 0 | 0 | secondary fatty alcohol; ultra-long-chain fatty alcohol | plant metabolite |
(E)-sinapaldehyde 4-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside; cinnamaldehydes; dimethoxybenzene; monosaccharide derivative | plant metabolite |
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one | [no description available] | low | 0 | 0 | diarylheptanoid; ketone; phenols | plant metabolite |
kurarinol | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | anti-inflammatory agent; antioxidant; plant metabolite |
gypenoside XVII | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | plant metabolite |
euonine | [no description available] | low | 0 | 0 | acetate ester; dihydroagarofuran sesquiterpenoid; macrolide; pyridine alkaloid; sesquiterpene alkaloid | immunosuppressive agent; insecticide; plant metabolite |
picrinine | [no description available] | low | 0 | 0 | alkaloid ester; indole alkaloid; methyl ester; organic heteropentacyclic compound; polycyclic ether | analgesic; anti-asthmatic agent; anti-inflammatory agent; antitussive; plant metabolite |
(20R)-ginsenoside Rg3 | [no description available] | low | 0 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | antioxidant; plant metabolite |
epoxyazadiradione | [no description available] | low | 0 | 0 | acetate ester; cyclic terpene ketone; epoxide; furans; limonoid; pentacyclic triterpenoid | anti-inflammatory agent; insecticide; plant metabolite |
salicylates | [no description available] | low | 0 | 0 | monohydroxybenzoate | plant metabolite |
orobanchol | [no description available] | low | 0 | 0 | indenofuran; secondary alcohol; strigolactone | plant metabolite |
oleuropein aglycone | [no description available] | low | 0 | 0 | catechols; diester; lactol; methyl ester; pyrans; secoiridoid | anti-inflammatory agent; antioxidant; mTOR inhibitor; neuroprotective agent; plant metabolite; TRPA1 channel agonist |
stemmadenine | [no description available] | low | 0 | 0 | Aspidosperma alkaloid; methyl ester; monoterpenoid indole alkaloid; organic heterotetracyclic compound; primary alcohol | plant metabolite |
paeoniflorigenone | [no description available] | low | 0 | 0 | alicyclic ketone; benzoate ester; bridged compound; cyclic acetal; lactol; monoterpenoid | neuromuscular agent; plant metabolite |
maysin | [no description available] | low | 0 | 0 | disaccharide derivative; flavone C-glycoside; secondary alpha-hydroxy ketone; tetrahydroxyflavone | insecticide; neuroprotective agent; plant metabolite |
cryptocaryol a | [no description available] | low | 0 | 0 | 2-pyranones; pentol | plant metabolite |
gypenoside LXXV | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | plant metabolite |
chrysopine | [no description available] | low | 0 | 0 | amino acid opine; carboxamide; delta-lactone; secondary amino compound; spiroketal; triol | plant metabolite |
wilforgine | [no description available] | low | 0 | 0 | acetate ester; dihydroagarofuran sesquiterpenoid; furans; macrocyclic lactone; organic heteropentacyclic compound; pyridine alkaloid | plant metabolite |
dehydrotomatine | [no description available] | low | 0 | 0 | alkaloid antibiotic; glycoside; steroid alkaloid; tetrasaccharide derivative | antifungal agent; phytotoxin; plant metabolite |
biliatresone | [no description available] | low | 0 | 0 | aromatic ether; aromatic ketone; benzodioxoles; enone; phenols | plant metabolite; toxin |
deoxyinosine | [no description available] | low | 0 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
deoxyguanosine triphosphate | [no description available] | low | 0 | 0 | deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-triphosphate | Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
guanosine diphosphate mannose | [no description available] | low | 0 | 0 | GDP-D-mannose | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
nsc 289487 | [no description available] | low | 0 | 0 | asterriquinones; dihydroxy-1,4-benzoquinones | |