Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
ellipticine | [no description available] | medium | 4 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
khellin | [no description available] | medium | 3 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
papaverine | [no description available] | medium | 2 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
suramin | [no description available] | medium | 4 | 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 |
vincristine | [no description available] | medium | 2 | 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 |
phenylephrine | [no description available] | medium | 1 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
androstenedione | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
colchicine | [no description available] | medium | 2 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
rotenone | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
sparteine, (7r-(7alpha,7aalpha,14alpha,14abeta))-isomer | [no description available] | medium | 1 | 0 | | |
deserpidine | [no description available] | medium | 1 | 0 | alkaloid ester; benzoate ester; methyl ester; organic heteropentacyclic compound; yohimban alkaloid | |
2,5-dimethyl-4-benzoquinone | [no description available] | medium | 1 | 0 | | |
monocrotaline | [no description available] | medium | 2 | 0 | pyrrolizidine alkaloid | |
boldine | [no description available] | medium | 2 | 0 | aporphine alkaloid | |
dihydroberberine | [no description available] | medium | 1 | 0 | alkaloid | |
Berberine chloride (TN) | [no description available] | medium | 4 | 0 | organic molecular entity | |
vinblastine | [no description available] | medium | 2 | 0 | | |
thalicarpine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
camptothecin | [no description available] | medium | 4 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
nitidine chloride | [no description available] | medium | 1 | 0 | | |
tomatine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; glycoalkaloid; glycoside; steroid alkaloid; tetrasaccharide derivative | antifungal agent; immunological adjuvant; phytotoxin |
daunorubicin | [no description available] | medium | 1 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
canadine | [no description available] | medium | 2 | 0 | aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle | |
paclitaxel | [no description available] | medium | 2 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
swainsonine | [no description available] | medium | 2 | 0 | indolizidine alkaloid | antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite |
rotenolone | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
tetrahydropalmatine | [no description available] | medium | 1 | 0 | an (S)-7,8,13,14-tetrahydroprotoberberine; berberine alkaloid; organic heterotetracyclic compound | adrenergic agent; dopaminergic antagonist; non-narcotic analgesic |
chelerythrine chloride | [no description available] | medium | 2 | 0 | | |
plumieride | [no description available] | medium | 1 | 0 | glycoside | |
coptisine | [no description available] | medium | 1 | 0 | | |
betulin | [no description available] | medium | 2 | 0 | diol; pentacyclic triterpenoid | analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite |
tetrahydroalstonine | [no description available] | medium | 2 | 0 | methyl ester; organic heteropentacyclic compound; yohimban alkaloid | plant metabolite |
tubulosine | [no description available] | medium | 1 | 0 | beta-carbolines; isoquinoline alkaloid; isoquinolines; phenols; secondary amino compound; tertiary amino compound | |
hernandezine | [no description available] | medium | 2 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
9-methoxyellipticine | [no description available] | medium | 1 | 0 | | |
beta-amyrin | [no description available] | medium | 1 | 0 | pentacyclic triterpenoid; secondary alcohol | Aspergillus metabolite; plant metabolite |
tingenin b | [no description available] | medium | 1 | 0 | | |
jacaranone | [no description available] | medium | 1 | 0 | | |
4beta-Hydroxywithanolide E | [no description available] | medium | 1 | 0 | withanolide | |
corynanthine | [no description available] | medium | 2 | 0 | yohimban alkaloid | |
limonin | [no description available] | medium | 2 | 0 | epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound | inhibitor; metabolite; volatile oil component |
chelidonine | [no description available] | medium | 2 | 0 | alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid | |
hydrastine | [no description available] | medium | 1 | 0 | isoquinolines | metabolite |
aspidospermine | [no description available] | medium | 2 | 0 | indole alkaloid | |
aricine | [no description available] | medium | 1 | 0 | methyl ester; yohimban alkaloid | |
Harringtonine | [no description available] | medium | 2 | 0 | alkaloid | |
indicine-n-oxide | [no description available] | medium | 1 | 0 | | |
homoharringtonine | [no description available] | medium | 1 | 0 | alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol | anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor |
acronine | [no description available] | medium | 1 | 0 | acridone derivatives; alkaloid | antineoplastic agent; metabolite |
jatrorrhizine chloride | [no description available] | medium | 2 | 0 | | |
ouabain | [no description available] | medium | 2 | 0 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
ginsenoside re | [no description available] | medium | 1 | 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 |
raubasine | [no description available] | medium | 1 | 0 | methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent |
brucine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | |
stevioside | [no description available] | medium | 1 | 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 |
steviol | [no description available] | medium | 1 | 0 | bridged compound; ent-kaurane diterpenoid; monocarboxylic acid; tertiary allylic alcohol; tetracyclic diterpenoid | antineoplastic agent |
quinidine sulfate | [no description available] | medium | 2 | 0 | | |
hirsutine, (16e,20beta)-isomer | [no description available] | medium | 1 | 0 | alkaloid | metabolite |
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 |
stigmasterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol | plant 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 | 2 | 0 | lactone; pyrrolizidine alkaloid; tertiary alcohol | plant metabolite |
bruceantin | [no description available] | medium | 2 | 0 | triterpenoid | |
esculin | [no description available] | medium | 1 | 0 | beta-D-glucoside; hydroxycoumarin | antioxidant; metabolite |
fulvoplumierin | [no description available] | medium | 1 | 0 | carbonyl compound; pyrans | |
plumericin | [no description available] | medium | 1 | 0 | terpene lactone | |
genkwanin | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | metabolite |
seneciphylline | [no description available] | medium | 1 | 0 | pyrrolizine alkaloid | |
maytansine | [no description available] | medium | 1 | 0 | alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound | antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator |
heliparvifoline | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
ellagic acid | [no description available] | medium | 3 | 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 |
tiliroside | [no description available] | medium | 1 | 0 | cinnamate ester; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | plant metabolite |
5,4'-dihydroxy-7,3'-dimethoxyflavone | [no description available] | medium | 1 | 0 | dihydroxyflavone; dimethoxyflavone | anti-allergic agent; anti-inflammatory agent; antibacterial agent; antioxidant; melanin synthesis inhibitor; plant metabolite |
pericalline | [no description available] | medium | 1 | 0 | | |
emetine hydrochloride | [no description available] | medium | 1 | 0 | | |
ginsenoside rb1 | [no description available] | medium | 1 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger |
nomilin | [no description available] | medium | 1 | 0 | | |
tannins | [no description available] | medium | 1 | 0 | tannin | |
ajmaline | [no description available] | medium | 2 | 0 | | |
chloroquine | [no description available] | medium | 7 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
cinchonidine | [no description available] | high | 7 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
quinidine | [no description available] | medium | 11 | 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 |
quinine | [no description available] | medium | 6 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
quinacrine | [no description available] | medium | 4 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
decamethonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | muscle relaxant; nicotinic acetylcholine receptor agonist |
dibucaine | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; tertiary amino compound | topical anaesthetic |
gallamine triethiodide | [no description available] | medium | 1 | 0 | aromatic ether | |
primaquine | [no description available] | medium | 2 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
tetraethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
aminacrine | [no description available] | medium | 1 | 0 | aminoacridines; primary amino compound | acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen |
dequalinium chloride | [no description available] | medium | 3 | 0 | organic chloride salt | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
vecuronium | [no description available] | medium | 1 | 0 | acetate ester; androstane; quaternary ammonium ion | drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist |
atracurium | [no description available] | medium | 1 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
hexamethonium chloride | [no description available] | medium | 1 | 0 | | |
strychnine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
pancuronium | [no description available] | medium | 1 | 0 | acetate ester; steroid ester | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
amsacrine | [no description available] | medium | 1 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
chlorambucil | [no description available] | medium | 1 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
hycanthone | [no description available] | medium | 2 | 0 | thioxanthenes | mutagen; schistosomicide drug |
mitoxantrone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
nortriptyline | [no description available] | medium | 2 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
yohimbine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist |
acodazole | [no description available] | medium | 1 | 0 | | |
amonafide | [no description available] | medium | 1 | 0 | isoquinolines | |
lm 985 | [no description available] | medium | 1 | 0 | | |
bay h 2049 | [no description available] | medium | 1 | 0 | | |
sr 2555 | [no description available] | medium | 1 | 0 | | |
dihydrolenperone | [no description available] | medium | 1 | 0 | | |
hepsulfam | [no description available] | medium | 1 | 0 | | |
1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 2 | 0 | oxopurine | adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
1-aminoindan-1,5-dicarboxylic acid | [no description available] | medium | 2 | 0 | | |
astemizole | [no description available] | medium | 3 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
aricine | [no description available] | medium | 2 | 0 | cinchona alkaloid | |
clotrimazole | [no description available] | medium | 2 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
mefloquine hydrochloride | [no description available] | medium | 4 | 0 | organofluorine compound; piperidines; quinolines; secondary alcohol | |
moclobemide | [no description available] | medium | 2 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
n-acetyl-4-nitrophenylserinol | [no description available] | medium | 2 | 0 | | |
oxiracetam | [no description available] | medium | 2 | 0 | organonitrogen compound; organooxygen compound | |
pentamidine | [no description available] | medium | 3 | 0 | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic |
pronethalol | [no description available] | medium | 2 | 0 | naphthalenes | |
propafenone | [no description available] | medium | 2 | 0 | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
pyrimethamine | [no description available] | medium | 3 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
scriptaid | [no description available] | medium | 2 | 0 | isoquinolines | |
6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone | [no description available] | medium | 2 | 0 | cyclodepsipeptide | |
cycloheximide | [no description available] | medium | 4 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
phanquinone | [no description available] | medium | 2 | 0 | orthoquinones | |
diphenan | [no description available] | medium | 2 | 0 | diarylmethane | |
2-phenylacetamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide | mouse metabolite |
tetraphenylborate | [no description available] | medium | 2 | 0 | | |
cycloguanil hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride; organic molecular entity | |
emetine | [no description available] | medium | 4 | 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 |
gentian violet | [no description available] | medium | 1 | 0 | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
9,10-dimethylanthracene | [no description available] | medium | 2 | 0 | | |
c 137 | [no description available] | medium | 3 | 0 | | |
buquinolate | [no description available] | medium | 2 | 0 | | |
propranolol glycol | [no description available] | medium | 2 | 0 | | |
thionine | [no description available] | medium | 1 | 0 | | |
neocuproine | [no description available] | medium | 2 | 0 | phenanthrolines | chelator; copper chelator |
mefloquine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
toxoflavin | [no description available] | medium | 2 | 0 | carbonyl compound; pyrimidotriazine | antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor |
selfotel | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
plasmenylserine | [no description available] | medium | 2 | 0 | O-phosphoserine | EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
2,2',2''-terpyridine | [no description available] | medium | 3 | 0 | terpyridines | chelator |
cletoquine | [no description available] | medium | 2 | 0 | | |
lycorine | [no description available] | medium | 2 | 0 | indolizidine alkaloid | anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor |
bathophenanthroline | [no description available] | medium | 2 | 0 | benzenes; phenanthrolines | chelator |
fascaplysine | [no description available] | medium | 1 | 0 | | |
tryptanthrine | [no description available] | medium | 4 | 0 | alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
ethylhydrocupreine | [no description available] | medium | 3 | 0 | aromatic ether; cinchona alkaloid | EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
7-chloro-4-aminoquinoline | [no description available] | medium | 2 | 0 | aminoquinoline | |
mmv665852 | [no description available] | medium | 2 | 0 | | |
1,3,4,10-Tetrahydro-9(2H)-acridinone | [no description available] | medium | 2 | 0 | acridines | |
wr 158122 | [no description available] | medium | 3 | 0 | | |
dihydroergocristine | [no description available] | medium | 2 | 0 | ergot alkaloid | adrenergic antagonist; vasodilator agent |
3',4'-dichlorobenzamil | [no description available] | medium | 3 | 0 | guanidines; pyrazines | |
cleistanthin b | [no description available] | medium | 2 | 0 | beta-D-glucoside; cleistanthins; monosaccharide derivative | alpha-adrenergic antagonist; antihypertensive agent; diuretic |
n-acetyltyramine | [no description available] | medium | 2 | 0 | acetamides; tyramines | animal metabolite; Aspergillus metabolite; bacterial metabolite; marine metabolite; quorum sensing inhibitor |
1,3-di(4-imidazolinophenoxyl)propane | [no description available] | medium | 2 | 0 | | |
7h-pyrido(4,3-c)carbazole | [no description available] | medium | 2 | 0 | | |
cl 246738 | [no description available] | medium | 2 | 0 | | |
celastrol methyl ester | [no description available] | medium | 2 | 0 | carboxylic ester | |
2-phenyl-4-oxohydroquinoline | [no description available] | medium | 2 | 0 | | |
cypripedin | [no description available] | medium | 2 | 0 | phenanthrol | |
respinomycin d | [no description available] | medium | 2 | 0 | | |
azacrin | [no description available] | medium | 1 | 0 | | |
acetoxycycloheximide | [no description available] | medium | 2 | 0 | | |
(R)-Roemerine | [no description available] | medium | 2 | 0 | isoquinoline alkaloid | |
anisomycin | [no description available] | medium | 3 | 0 | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
2-guanidine-4-methylquinazoline | [no description available] | medium | 2 | 0 | | |
puromycin | [no description available] | medium | 3 | 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 |
trichostatin a | [no description available] | medium | 1 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
epothilone b | [no description available] | medium | 2 | 0 | epothilone; epoxide | antineoplastic agent; apoptosis inducer; microtubule-stabilising agent |
dactinomycin | [no description available] | medium | 3 | 0 | actinomycin | mutagen |
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | [no description available] | medium | 2 | 0 | pyrimidotriazine | |
jp-1302 | [no description available] | medium | 3 | 0 | | |
7-hydroxy-2-methoxy-1,4-phenanthrenedione | [no description available] | medium | 2 | 0 | | |
cgp 60474 | [no description available] | medium | 2 | 0 | substituted aniline | |
2-[2-hydroxy-6,7-dimethoxy-4-(4-morpholinyl)-1-naphthalenyl]-N-phenylacetamide | [no description available] | medium | 2 | 0 | naphthols | |
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine | [no description available] | medium | 2 | 0 | aralkylamine | |
2,6-bis(benzimidazol-2-yl)pyridine | [no description available] | medium | 3 | 0 | benzimidazoles | |
n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine | [no description available] | medium | 3 | 0 | | |
N-[4-(1-azepanyl)phenyl]-2-chloroacetamide | [no description available] | medium | 2 | 0 | anilide | |
N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) ester | [no description available] | medium | 2 | 0 | toluenes | |
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) | [no description available] | medium | 2 | 0 | benzimidazoles | |
1,4,8-trimethyl-12-quinolino[2,3-b]quinolinamine | [no description available] | medium | 2 | 0 | aminoquinoline | |
2-furanyl-(4,4,8-trimethyl-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)methanone | [no description available] | medium | 2 | 0 | aromatic amide; heteroarene | |
1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone | [no description available] | medium | 2 | 0 | quinolines | |
stk295900 | [no description available] | medium | 3 | 0 | | |
6-(4-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole | [no description available] | medium | 3 | 0 | benzimidazoles | |
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine | [no description available] | medium | 2 | 0 | aromatic ether | |
N-[2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-2-benzimidazol-3-iumyl]ethenyl]-N-methylaniline | [no description available] | medium | 2 | 0 | benzimidazoles | |
4-(1-adamantyl)-2-methyl-1,3-thiazole | [no description available] | medium | 2 | 0 | thiazoles | |
2-amino-6-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]pyridine-3,5-dicarbonitrile | [no description available] | medium | 2 | 0 | piperazines; pyridines | |
1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea | [no description available] | medium | 3 | 0 | pyrazoles; ring assembly | |
2-(4,6,7-Trimethyl-2-quinazolinyl)guanidine | [no description available] | medium | 2 | 0 | quinazolines | |
polysulfide rubber | [no description available] | medium | 2 | 0 | | |
4-(4-nitrophenyl)-N-prop-2-enyl-1-piperazinecarbothioamide | [no description available] | medium | 2 | 0 | piperazines | |
zd 6474 | [no description available] | medium | 2 | 0 | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
5-bromo-1-(1-oxopropyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide | [no description available] | medium | 2 | 0 | indoles | |
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide | [no description available] | medium | 2 | 0 | aromatic amide; heteroarene | |
2-[(3-ethyl-7-methyl-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]-N-(2-phenylethyl)acetamide | [no description available] | medium | 2 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
trichomonacid | [no description available] | medium | 2 | 0 | | |
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | [no description available] | medium | 2 | 0 | triazolopyrimidines | |
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide | [no description available] | medium | 2 | 0 | isoindoles | |
penicillin v | [no description available] | medium | 1 | 0 | 1,1'-diethyl-2,2'-cyanine; quinolines | |
hydrocortisone acetate, (11beta)-isomer | [no description available] | medium | 2 | 0 | | |
xib 4035 | [no description available] | medium | 2 | 0 | | |
10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one | [no description available] | medium | 3 | 0 | pyridochromene | |
lumefantrine | [no description available] | medium | 2 | 0 | fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine | antimalarial |
suloctidil | [no description available] | medium | 1 | 0 | | |
edatrexate | [no description available] | medium | 3 | 0 | glutamic acid derivative | |
cgp 71683 a | [no description available] | medium | 1 | 0 | | |
artenimol | [no description available] | medium | 3 | 0 | | |
aee 788 | [no description available] | medium | 2 | 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 |
tomaymycin | [no description available] | medium | 2 | 0 | tomaymycin | |
amodiaquine hydrochloride | [no description available] | medium | 3 | 0 | | |
gramicidin a | [no description available] | medium | 2 | 0 | | |
N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-N-(3-thiophenylmethyl)propanamide | [no description available] | medium | 2 | 0 | benzenes | |
rs 39604 | [no description available] | medium | 1 | 0 | hydrochloride | serotonergic antagonist |
1-[amino-[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylidene]-3-phenylurea | [no description available] | medium | 3 | 0 | quinazolines | |
aminooxyacetic acid | [no description available] | medium | 1 | 0 | amino acid; hydroxylamines; monocarboxylic acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent |
aminocaproic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
acebutolol | [no description available] | medium | 1 | 0 | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
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 |
acetazolamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
acetohydroxamic acid | [no description available] | medium | 1 | 0 | acetohydroxamic acids; carbohydroximic acid | algal metabolite; EC 3.5.1.5 (urease) inhibitor |
albuterol | [no description available] | medium | 1 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
alendronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
alprazolam | [no description available] | medium | 1 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
aminoglutethimide | [no description available] | medium | 1 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
theophylline | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
amiodarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
amitriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
amlodipine | [no description available] | medium | 1 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
aprindine | [no description available] | medium | 1 | 0 | indanes | |
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 |
atenolol | [no description available] | medium | 1 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
azathioprine | [no description available] | medium | 1 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
bepridil | [no description available] | medium | 1 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
bisoprolol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bretylium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
bromhexine | [no description available] | medium | 1 | 0 | organobromine compound; substituted aniline; tertiary amino compound | mucolytic |
bumetanide | [no description available] | medium | 1 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
verapamil | [no description available] | medium | 1 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
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 |
carmustine | [no description available] | medium | 1 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
carteolol | [no description available] | medium | 1 | 0 | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
chlordiazepoxide | [no description available] | medium | 1 | 0 | benzodiazepine | |
chlorpromazine | [no description available] | medium | 1 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
chlorpropamide | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorthalidone | [no description available] | medium | 1 | 0 | isoindoles; monochlorobenzenes; sulfonamide | |
cimetidine | [no description available] | medium | 2 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
citalopram | [no description available] | medium | 1 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
clenbuterol | [no description available] | medium | 1 | 0 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
clioquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
clofibrate | [no description available] | medium | 1 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
clomipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
clonidine | [no description available] | medium | 1 | 0 | clonidine; imidazoline | |
chlorazepate | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone | anticonvulsant; anxiolytic drug; GABA modulator; prodrug |
dapsone | [no description available] | medium | 1 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
debrisoquin | [no description available] | medium | 1 | 0 | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent |
desipramine | [no description available] | medium | 1 | 0 | dibenzoazepine; secondary amino compound | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor |
diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diazoxide | [no description available] | medium | 1 | 0 | benzothiadiazine; organochlorine compound; sulfone | antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent |
diclofenac | [no description available] | medium | 1 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
3,4-dihydroxybenzohydroxamic acid | [no description available] | medium | 1 | 0 | benzoic acids | |
diflunisal | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
dimercaprol | [no description available] | medium | 1 | 0 | dithiol; primary alcohol | chelator |
domperidone | [no description available] | medium | 2 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
ethacrynic acid | [no description available] | medium | 1 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
ethosuximide | [no description available] | medium | 1 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
ethyl loflazepate | [no description available] | medium | 1 | 0 | organic molecular entity | |
felodipine | [no description available] | medium | 1 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
berotek | [no description available] | medium | 1 | 0 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
fentanyl | [no description available] | medium | 1 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
flecainide | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
fluphenazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
flurbiprofen | [no description available] | medium | 1 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
furosemide | [no description available] | medium | 1 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
glutethimide | [no description available] | medium | 1 | 0 | piperidines | |
guanethidine | [no description available] | medium | 1 | 0 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
hydroxyurea | [no description available] | medium | 1 | 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 |
hydroxyzine | [no description available] | medium | 1 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
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 |
phenelzine | [no description available] | medium | 1 | 0 | primary amine | |
lidocaine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
imipramine | [no description available] | medium | 2 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
amrinone | [no description available] | medium | 1 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
incadronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | |
indapamide | [no description available] | medium | 1 | 0 | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic |
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 |
nsc 664704 | [no description available] | medium | 3 | 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 |
ketamine | [no description available] | medium | 1 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
ketanserin | [no description available] | medium | 1 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
ketoconazole | [no description available] | medium | 2 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
ketoprofen | [no description available] | medium | 1 | 0 | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
ketotifen | [no description available] | medium | 1 | 0 | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
labetalol | [no description available] | medium | 1 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
lansoprazole | [no description available] | medium | 1 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
lofepramine | [no description available] | medium | 1 | 0 | aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound | antidepressant |
lomustine | [no description available] | medium | 1 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
lorazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
maprotiline | [no description available] | medium | 1 | 0 | anthracenes | |
mazindol | [no description available] | medium | 1 | 0 | organic molecular entity | |
mechlorethamine | [no description available] | medium | 1 | 0 | nitrogen mustard; organochlorine compound | alkylating agent |
mephenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
methoxyamine | [no description available] | medium | 1 | 0 | organooxygen compound | |
methoxyflurane | [no description available] | medium | 1 | 0 | ether; organochlorine compound; organofluorine compound | hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic |
methylphenidate | [no description available] | medium | 1 | 0 | beta-amino acid ester; methyl ester; piperidines | |
metoclopramide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
metronidazole | [no description available] | medium | 2 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
mexiletine | [no description available] | medium | 1 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
mianserin | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist |
minoxidil | [no description available] | medium | 1 | 0 | dialkylarylamine; tertiary amino compound | |
nabumetone | [no description available] | medium | 1 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nitrendipine | [no description available] | medium | 1 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
nitroglycerin | [no description available] | medium | 1 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
nomifensine | [no description available] | medium | 1 | 0 | isoquinolines | dopamine uptake inhibitor |
norfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
olomoucine | [no description available] | medium | 1 | 0 | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
omeprazole | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
oxatomide | [no description available] | medium | 1 | 0 | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist |
oxazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
oxprenolol | [no description available] | medium | 1 | 0 | aromatic ether | |
oxyphenbutazone | [no description available] | medium | 1 | 0 | phenols; pyrazolidines | antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite |
aminosalicylic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; phenols | antitubercular agent |
pamidronate | [no description available] | medium | 1 | 0 | phosphonoacetic acid | |
pantoprazole | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
perphenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
phenacetin | [no description available] | medium | 1 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
phenindione | [no description available] | medium | 1 | 0 | aromatic ketone; beta-diketone | anticoagulant |
phentermine | [no description available] | medium | 1 | 0 | primary amine | adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent |
phenylbutazone | [no description available] | medium | 1 | 0 | pyrazolidines | antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
procainamide | [no description available] | medium | 1 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
procaine | [no description available] | medium | 1 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
procarbazine | [no description available] | medium | 1 | 0 | benzamides; hydrazines | antineoplastic agent |
promethazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
propranolol | [no description available] | medium | 1 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
rabeprazole | [no description available] | medium | 1 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
ranitidine | [no description available] | medium | 1 | 0 | aralkylamine | |
risedronic acid | [no description available] | medium | 1 | 0 | pyridines | |
sulforaphane | [no description available] | medium | 1 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
terbutaline | [no description available] | medium | 1 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
thioridazine | [no description available] | medium | 1 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
ticlopidine | [no description available] | medium | 1 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
tolbutamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
triamterene | [no description available] | medium | 1 | 0 | pteridines | diuretic; sodium channel blocker |
triazolam | [no description available] | medium | 1 | 0 | triazolobenzodiazepine | sedative |
trifluoperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
trimethadione | [no description available] | medium | 1 | 0 | oxazolidinone | anticonvulsant; geroprotector |
trimethoprim | [no description available] | medium | 2 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine; pyrrolopyrazine | central nervous system depressant; sedative |
reserpine | [no description available] | medium | 2 | 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 |
paramethasone | [no description available] | medium | 1 | 0 | fluorinated steroid | |
cetrimonium bromide | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | detergent; surfactant |
levodopa | [no description available] | medium | 1 | 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 |
fluocinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
mannitol | [no description available] | medium | 1 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
cytarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
sulfobromophthalein sodium | [no description available] | medium | 1 | 0 | organic sodium salt | dye |
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 |
pseudoephedrine | [no description available] | medium | 1 | 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 |
phenformin | [no description available] | medium | 1 | 0 | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
sterogenol | [no description available] | medium | 1 | 0 | bromide salt; pyridinium salt | antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant |
cycloguanil | [no description available] | medium | 2 | 0 | triazines | antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
betamethasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent |
dextropropoxyphene | [no description available] | medium | 1 | 0 | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist; opioid analgesic |
benzohydroxamic acid | [no description available] | medium | 1 | 0 | | |
medroxyprogesterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | contraceptive drug; progestin; synthetic oral contraceptive |
megestrol acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
erythromycin | [no description available] | medium | 1 | 0 | cyclic ketone; erythromycin | |
sulfadoxine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
acetophenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines | phenothiazine antipsychotic drug |
beclomethasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug |
pyrodifenium bromide | [no description available] | medium | 1 | 0 | organic molecular entity | |
amopyroquine | [no description available] | medium | 1 | 0 | | |
xipamide | [no description available] | medium | 1 | 0 | benzamides | |
levamisole | [no description available] | medium | 2 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator |
danazol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
bromocriptine | [no description available] | medium | 1 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
triamcinolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
benzonidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | antiprotozoal drug |
halazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
dexchlorpheniramine | [no description available] | medium | 1 | 0 | chlorphenamine | |
timolol | [no description available] | medium | 1 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
amineptin | [no description available] | medium | 1 | 0 | amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound | antidepressant; dopamine uptake inhibitor |
etoposide | [no description available] | medium | 2 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
halofantrine | [no description available] | medium | 1 | 0 | phenanthrenes | |
hydroxymaprotilin | [no description available] | medium | 1 | 0 | | |
methyldopa | [no description available] | medium | 1 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
tocainide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | anti-arrhythmia drug; local anaesthetic; sodium channel blocker |
sq-11725 | [no description available] | medium | 1 | 0 | | |
diltiazem | [no description available] | medium | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
pinazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
butibufen | [no description available] | medium | 1 | 0 | monoterpenoid | |
paroxetine | [no description available] | medium | 1 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
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 |
staurosporine | [no description available] | medium | 2 | 0 | indolocarbazole alkaloid; organic heterooctacyclic compound | apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector |
alfentanil | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; piperidines | central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug |
piritrexim | [no description available] | medium | 2 | 0 | | |
bambuterol | [no description available] | medium | 1 | 0 | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
salmeterol xinafoate | [no description available] | medium | 1 | 0 | naphthoic acid | |
ibandronic acid | [no description available] | medium | 1 | 0 | | |
trovafloxacin | [no description available] | medium | 1 | 0 | | |
ursolic acid | [no description available] | medium | 2 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite |
propamidine | [no description available] | medium | 2 | 0 | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
sinefungin | [no description available] | medium | 1 | 0 | adenosines; non-proteinogenic alpha-amino acid | antifungal agent; antimicrobial agent |
droxicam | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; pyridines | cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug |
etofibrate | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
dexfenfluramine | [no description available] | medium | 1 | 0 | fenfluramine | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
synthalin a | [no description available] | medium | 1 | 0 | guanidines | hepatotoxic agent; hypoglycemic agent; nephrotoxin |
ibopamine | [no description available] | medium | 1 | 0 | benzoate ester; phenols | |
zoledronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
pirlindole | [no description available] | medium | 1 | 0 | carbazoles | |
artemether | [no description available] | medium | 1 | 0 | artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid | antimalarial |
6-amino-1-hydroxyhexane-1,1-diphosphonate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | |
rexigen | [no description available] | medium | 1 | 0 | | |
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 |
clociguanil | [no description available] | medium | 1 | 0 | | |
tebuquine | [no description available] | medium | 1 | 0 | | |
atovaquone | [no description available] | medium | 2 | 0 | hydroxy-1,2-naphthoquinone | |
cryptolepine | [no description available] | medium | 1 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound | anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite |
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate | [no description available] | medium | 1 | 0 | | |
desethylchloroquine | [no description available] | medium | 1 | 0 | aminoquinoline | |
wr 159412 | [no description available] | medium | 1 | 0 | | |
benzyloxyamine | [no description available] | medium | 1 | 0 | | |
pyronaridine | [no description available] | medium | 1 | 0 | aminoquinoline | |
tafenoquine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound | |
desethylamodiaquine | [no description available] | medium | 1 | 0 | | |
n,n-dideethylchloroquine | [no description available] | medium | 1 | 0 | | |
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine | [no description available] | medium | 1 | 0 | | |
ne 58051 | [no description available] | medium | 1 | 0 | | |
wr 242511 | [no description available] | medium | 1 | 0 | | |
naproxen | [no description available] | medium | 1 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
cyc 202 | [no description available] | medium | 2 | 0 | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
atropine | [no description available] | medium | 1 | 0 | | |
deflazacort | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
olpadronic acid | [no description available] | medium | 1 | 0 | | |
estramustine | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
lupeol | [no description available] | medium | 1 | 0 | pentacyclic triterpenoid; secondary alcohol | anti-inflammatory drug; plant metabolite |
neocryptolepine | [no description available] | medium | 1 | 0 | | |
1-hydroxypentane-1,1-bisphosphonate | [no description available] | medium | 1 | 0 | | |
cimadronate | [no description available] | medium | 1 | 0 | | |
1,1-hydroxyoctanodiphosphonate | [no description available] | medium | 1 | 0 | | |
oxytocin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
digitoxin | [no description available] | medium | 2 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
canaline | [no description available] | medium | 1 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite |
purvalanol a | [no description available] | medium | 1 | 0 | purvalanol | |
melphalan | [no description available] | medium | 1 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
Tetrahydropiperine | [no description available] | medium | 1 | 0 | benzodioxoles | |
carbenoxolone | [no description available] | medium | 1 | 0 | | |
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 |
ilepcimide | [no description available] | medium | 1 | 0 | benzodioxoles | |
leuprolide | [no description available] | medium | 1 | 0 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
octotropine methylbromide | [no description available] | medium | 1 | 0 | | |
ipratropium bromide anhydrous | [no description available] | medium | 1 | 0 | | |
flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
sulindac | [no description available] | medium | 1 | 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 |
digoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
ethionamide | [no description available] | medium | 1 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
artemotil | [no description available] | medium | 1 | 0 | artemisinin derivative | |
gestodene | [no description available] | medium | 1 | 0 | steroid | estrogen |
glucametacin | [no description available] | medium | 1 | 0 | | |
alsterpaullone | [no description available] | medium | 1 | 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 |
alprostadil | [no description available] | medium | 2 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
amphotericin b | [no description available] | medium | 3 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
usambarensine | [no description available] | medium | 1 | 0 | harmala alkaloid | |
cynarine | [no description available] | medium | 1 | 0 | alkyl caffeate ester; quinic acid | plant metabolite |
triprolidine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
codeine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
dihydrocodeine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
ly 163892 | [no description available] | medium | 1 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
naloxone | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
morphine | [no description available] | medium | 1 | 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 |
lacidipine | [no description available] | medium | 1 | 0 | cinnamate ester; tert-butyl ester | |
vinorelbine | [no description available] | medium | 2 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent |
licochalcone a | [no description available] | medium | 1 | 0 | chalcones | |
stilbamidine | [no description available] | medium | 1 | 0 | | |
piperic acid | [no description available] | medium | 2 | 0 | alpha,beta-unsaturated monocarboxylic acid; benzodioxoles | plant metabolite |
proguanil | [no description available] | medium | 1 | 0 | biguanides; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
nifuroxime | [no description available] | medium | 1 | 0 | | |
1-methyl-d-lysergic acid butanolamide | [no description available] | medium | 1 | 0 | ergot alkaloid; monocarboxylic acid amide | serotonergic antagonist; sympatholytic agent; vasoconstrictor agent |
nifurtimox | [no description available] | medium | 1 | 0 | nitrofuran antibiotic | |
butylscopolammonium bromide | [no description available] | medium | 2 | 0 | | |
roxithromycin | [no description available] | medium | 1 | 0 | roxithromycin | environmental contaminant; xenobiotic |
artesunate | [no description available] | medium | 3 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
chlorproguanil | [no description available] | medium | 1 | 0 | dichlorobenzene | |
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide | [no description available] | medium | 1 | 0 | | |
4-phenoxyphenoxyethyl thiocyanate | [no description available] | medium | 1 | 0 | | |
diflucortolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
deoxoartemisinin | [no description available] | medium | 1 | 0 | | |
valproate sodium | [no description available] | medium | 1 | 0 | organic sodium salt | geroprotector |
butyrolactone i | [no description available] | medium | 1 | 0 | butenolide | |
ascorbic acid | [no description available] | medium | 1 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
tetracycline | [no description available] | medium | 1 | 0 | | |
oxytetracycline, anhydrous | [no description available] | medium | 1 | 0 | | |
minocycline | [no description available] | medium | 2 | 0 | | |
piroxicam | [no description available] | medium | 1 | 0 | benzothiazine; monocarboxylic acid amide; pyridines | analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
mobiflex | [no description available] | medium | 1 | 0 | heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
rolitetracycline | [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 |
clozapine | [no description available] | medium | 1 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound | adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic |
allopurinol | [no description available] | medium | 1 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
thiolactomycin | [no description available] | medium | 1 | 0 | | |
3,4,5-trihydroxybenzamidoxime | [no description available] | medium | 1 | 0 | benzenetriol | |
histamine | [no description available] | medium | 1 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
ethylisopropylamiloride | [no description available] | medium | 1 | 0 | aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound | anti-arrhythmia drug; neuroprotective agent; sodium channel blocker |
bufexamac | [no description available] | medium | 1 | 0 | aromatic ether; hydroxamic acid | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
nizatidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound | anti-ulcer drug; cholinergic drug; H2-receptor antagonist |
periciazine | [no description available] | medium | 1 | 0 | hydroxypiperidine; nitrile; phenothiazines | adrenergic antagonist; first generation antipsychotic; sedative |
sulfamerazine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen |
quinacrine monohydrochloride | [no description available] | medium | 1 | 0 | | |
apomorphine hydrochloride, anhydrous | [no description available] | medium | 1 | 0 | | |
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide | [no description available] | medium | 1 | 0 | | |
antimycin a | [no description available] | medium | 1 | 0 | benzamides; formamides; macrodiolide; phenols | antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide |
clobetasol propionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid | anti-inflammatory drug |
ranitidine hydrochloride | [no description available] | medium | 1 | 0 | | |
tiotidine | [no description available] | medium | 1 | 0 | thiazoles | |
chloroquine diphosphate | [no description available] | medium | 1 | 0 | | |
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 |
5-(n-methyl-n-isobutyl)amiloride | [no description available] | medium | 1 | 0 | | |
amperozide | [no description available] | medium | 1 | 0 | diarylmethane; monofluorobenzenes; N-alkylpiperazine; secondary carboxamide; ureas | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
amperozide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
sk&f 95282 | [no description available] | medium | 1 | 0 | piperidines | |
ici 162846 | [no description available] | medium | 1 | 0 | fatty amide | |
cloperastine hydrochloride | [no description available] | medium | 1 | 0 | diarylmethane | |
aminopotentidine | [no description available] | medium | 1 | 0 | aromatic ether; benzamides; guanidines; nitrile; piperidines; substituted aniline | H2-receptor antagonist |
mometasone furoate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester | anti-allergic agent; anti-inflammatory drug |
famotidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
quinine sulfate | [no description available] | medium | 1 | 0 | hydrate | |
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
nsc-267703 | [no description available] | medium | 2 | 0 | anthracycline | |
dactinomycin | [no description available] | medium | 1 | 0 | cyclodepsipeptide | |
amodiaquine | [no description available] | medium | 1 | 0 | aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
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 |
clofilium | [no description available] | medium | 1 | 0 | benzenes; organic amino compound | |
dequalinium | [no description available] | medium | 1 | 0 | quinolinium ion | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
nsc-526417 | [no description available] | medium | 1 | 0 | | |
gentian violet | [no description available] | medium | 1 | 0 | iminium ion | antibacterial agent; antifungal agent |
hexahydrosiladifenidol | [no description available] | medium | 1 | 0 | | |
triphenyltetrazolium | [no description available] | medium | 1 | 0 | organic cation | |
berbamine | [no description available] | medium | 1 | 0 | phenylpropanoid | |
palmatine | [no description available] | medium | 1 | 0 | berberine alkaloid; organic heterotetracyclic compound | plant metabolite |
4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine | [no description available] | medium | 1 | 0 | | |
naphthoxybutanolcyclohexylamine | [no description available] | medium | 1 | 0 | | |
quinocide | [no description available] | medium | 1 | 0 | | |
clobetasone butyrate | [no description available] | medium | 1 | 0 | organic molecular entity | |
jatrorrhizine | [no description available] | medium | 1 | 0 | alkaloid | |
LSM-4272 | [no description available] | medium | 1 | 0 | beta-carbolines | |
2,4-diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine | [no description available] | medium | 1 | 0 | | |
10-deazaaminopterin | [no description available] | medium | 1 | 0 | | |
benzamil | [no description available] | medium | 1 | 0 | guanidines; pyrazines | |
imiloxan | [no description available] | medium | 1 | 0 | benzodioxine | |
epiberberine | [no description available] | medium | 1 | 0 | | |
mensacarcin | [no description available] | medium | 1 | 0 | | |
cephaelin | [no description available] | medium | 1 | 0 | pyridoisoquinoline | |
wr-142,490 | [no description available] | medium | 1 | 0 | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol | antimalarial |
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 1 | 0 | alkylbenzene | |
n-(4-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine | [no description available] | medium | 1 | 0 | | |
lch-7749944 | [no description available] | medium | 1 | 0 | | |
cgp 71683 a | [no description available] | medium | 1 | 0 | naphthalenes; sulfonic acid derivative | |
2-(dimethylaminostyryl)-1-ethylpyridinium | [no description available] | medium | 1 | 0 | pyridinium ion | |
norketotifen | [no description available] | medium | 1 | 0 | organosulfur heterocyclic compound | |
nonoxynol-9 | [no description available] | medium | 1 | 0 | tergitol | contraceptive drug; nonionic surfactant |
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 | 2 | 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 |
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | cofactor |
3,3'-diindolylmethane | [no description available] | medium | 1 | 0 | indoles | antineoplastic agent; P450 inhibitor |
embelin | [no description available] | medium | 1 | 0 | dihydroxy-1,4-benzoquinones | antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; 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 | 2 | 0 | | |
indole-3-carbinol | [no description available] | medium | 1 | 0 | indolyl alcohol | antineoplastic agent; plant metabolite |
kinetin | [no description available] | medium | 1 | 0 | 6-aminopurines; furans | cytokinin; geroprotector |
beta-lapachone | [no description available] | medium | 2 | 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 | 2 | 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 |
pilocarpine hydrochloride | [no description available] | medium | 2 | 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 | 2 | 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 | | |
yohimbine hydrochloride | [no description available] | medium | 1 | 0 | | |
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 | 2 | 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 |
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 |
jervine | [no description available] | medium | 2 | 0 | piperidines | |
glycyrrhetinic acid | [no description available] | medium | 1 | 0 | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite |
indirubin | [no description available] | medium | 1 | 0 | | |
plumbagin | [no description available] | medium | 1 | 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 | 2 | 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 |
thymoquinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite |
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 | 1 | 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 |
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 | |
tetradecanoylphorbol acetate | [no description available] | medium | 1 | 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 |
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 |
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 |
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 | 1 | 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 | 2 | 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 | 1 | 0 | biphenyls | |
honokiol | [no description available] | medium | 1 | 0 | biphenyls | |
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 | 2 | 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 | |
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 |
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 | |
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 | |
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 | 1 | 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 | |
maduramicin | [no description available] | medium | 1 | 0 | | |
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 |
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 |
vincristine sulfate | [no description available] | medium | 1 | 0 | organic sulfate salt | antineoplastic agent; geroprotector |
acetylstrophanthidin | [no description available] | medium | 1 | 0 | acetate ester | anti-arrhythmia drug |
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 | 2 | 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 |
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 |
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 |
hyperforin | [no description available] | medium | 1 | 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 | 1 | 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 |
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 |
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 | 1 | 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 | 1 | 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 | |
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 |
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 |
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 |
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 | 1 | 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 | 2 | 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 | 1 | 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 | 2 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
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 |
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 | |
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 |
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 | | |
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 | |
alpha-cyclopiazonic acid | [no description available] | medium | 1 | 0 | alpha-cyclopiazonic acids | |
lithocholic acid | [no description available] | medium | 2 | 0 | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
chenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
cholic acid | [no description available] | medium | 1 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
deoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
hyodeoxycholic acid | [no description available] | medium | 1 | 0 | 5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid | human metabolite; mouse metabolite |
loa | [no description available] | medium | 1 | 0 | | |
2-(3-pyridine)acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; pyridines | human xenobiotic metabolite |
ureidosuccinic acid | [no description available] | medium | 1 | 0 | aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
arabinofuranosylcytosine triphosphate | [no description available] | medium | 1 | 0 | pyrimidine ribonucleoside monophosphate | |
aminoethylphosphonic acid | [no description available] | medium | 1 | 0 | phosphonic acids; primary amino compound; zwitterion | human metabolite; metabolite; mouse metabolite |
gamma-guanidinobutyric acid | [no description available] | medium | 1 | 0 | guanidines; monocarboxylic acid; zwitterion | fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
inositol | [no description available] | medium | 1 | 0 | cyclitol; hexol | |
pentachlorophenol | [no description available] | medium | 1 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
phenylalanine | [no description available] | medium | 1 | 0 | alpha-amino acid; aromatic amino acid | Daphnia magna metabolite |
n-acetyltryptophan | [no description available] | medium | 1 | 0 | N-acetyl-amino acid; tryptophan derivative | metabolite |
tyrphostin ag957 | [no description available] | medium | 1 | 0 | aromatic amine | |
2-amino-4-phosphonobutyric acid | [no description available] | medium | 1 | 0 | | |
benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
benzylhydrochlorothiazide | [no description available] | medium | 1 | 0 | benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide | |
eucalyptol | [no description available] | medium | 1 | 0 | | |
amberlite cg 400 | [no description available] | medium | 1 | 0 | methyl ester; organic heteropentacyclic compound; yohimban alkaloid | |
stallimycin | [no description available] | medium | 1 | 0 | | |
glyphosate | [no description available] | medium | 1 | 0 | glycine derivative; phosphonic acid | agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide |
haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
miltefosine | [no description available] | medium | 1 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
batyl alcohol | [no description available] | medium | 1 | 0 | alkylglycerol | |
2-amino-3-phosphonopropionic acid | [no description available] | medium | 1 | 0 | alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids | human metabolite; metabotropic glutamate receptor antagonist |
benzylsuccinic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | bacterial xenobiotic metabolite |
mesoridazine | [no description available] | medium | 1 | 0 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
oxaprozin | [no description available] | medium | 1 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
penicillamine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid; thiol | |
pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
phenolsulfonphthalein | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole; arenesulfonate ester; phenols; sultone | acid-base indicator; diagnostic agent; two-colour indicator |
Picrotin, analytical standard | [no description available] | medium | 1 | 0 | furopyran | |
pomiferin | [no description available] | medium | 1 | 0 | isoflavanones | |
pridinol | [no description available] | medium | 1 | 0 | piperidines; tertiary alcohol | antiparkinson drug; muscle relaxant |
sulfaquinoxaline | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
4-methylglutamic acid | [no description available] | medium | 1 | 0 | amino dicarboxylic acid; glutamic acid derivative | |
santowhite powder | [no description available] | medium | 1 | 0 | | |
fentichlor | [no description available] | medium | 1 | 0 | aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol | antiinfective agent; drug allergen |
pyrrolidonecarboxylic acid | [no description available] | medium | 1 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
hexadecanolide | [no description available] | medium | 1 | 0 | macrolide | |
pamoic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
carzenide | [no description available] | medium | 1 | 0 | sulfonamide | |
estradiol 17 beta-cypionate | [no description available] | medium | 1 | 0 | steroid ester | |
salicylurate | [no description available] | medium | 1 | 0 | N-acylglycine; secondary carboxamide | human xenobiotic metabolite; uremic toxin |
3,5-pyridinedicarboxylic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | |
ricinine | [no description available] | medium | 1 | 0 | nitrile; pyridine alkaloid; pyridone | |
carinamide | [no description available] | medium | 1 | 0 | | |
3,5-dibromotyrosine | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
hematoporphyrin | [no description available] | medium | 1 | 0 | | |
1H-indazol-3-amine | [no description available] | medium | 1 | 0 | indazoles | |
1,1'-methylenedi-2-naphthol | [no description available] | medium | 1 | 0 | | |
tricarballylic acid | [no description available] | medium | 1 | 0 | tricarboxylic acid | |
popop | [no description available] | medium | 1 | 0 | 1,3-oxazoles | fluorochrome |
2-tert-butylhydroquinone | [no description available] | medium | 1 | 0 | hydroquinones | food antioxidant |
7-hydroxychlorpromazine | [no description available] | medium | 1 | 0 | phenothiazines | |
cme-carbodiimide | [no description available] | medium | 1 | 0 | | |
cyclacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
strombine | [no description available] | medium | 1 | 0 | | |
thymolphthalein | [no description available] | medium | 2 | 0 | terpene lactone | |
1,4,5,8-naphthalenetetracarboxylic acid | [no description available] | medium | 1 | 0 | | |
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | [no description available] | medium | 1 | 0 | anthracycline | |
hydroxyphenylazouracil | [no description available] | medium | 1 | 0 | | |
pimonidazole | [no description available] | medium | 1 | 0 | | |
flavone acetic acid | [no description available] | medium | 1 | 0 | | |
trichlorophene | [no description available] | medium | 1 | 0 | | |
verapamil hydrochloride | [no description available] | medium | 1 | 0 | | |
4-aminomethylbenzoic acid | [no description available] | medium | 1 | 0 | benzoic acids | |
cedrol | [no description available] | medium | 1 | 0 | cedrane sesquiterpenoid; tertiary alcohol | |
propazole | [no description available] | medium | 1 | 0 | benzimidazoles | |
reserpic acid | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
pifexole | [no description available] | medium | 1 | 0 | | |
Diphenolic acid | [no description available] | medium | 1 | 0 | bisphenol | |
Melicopidine | [no description available] | medium | 1 | 0 | acridines | |
resorufin | [no description available] | medium | 1 | 0 | phenoxazine | |
pacein | [no description available] | medium | 1 | 0 | | |
alantolactone | [no description available] | medium | 1 | 0 | naphthofuran; olefinic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; plant metabolite |
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide | [no description available] | medium | 1 | 0 | | |
stictic acid | [no description available] | medium | 1 | 0 | aromatic ether | |
gallocyanine | [no description available] | medium | 1 | 0 | | |
propylsulfonic acid | [no description available] | medium | 1 | 0 | | |
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide | [no description available] | medium | 1 | 0 | carbodiimide; morpholines | cross-linking reagent |
6,6'-dithiodinicotinic acid | [no description available] | medium | 1 | 0 | | |
va 061 | [no description available] | medium | 1 | 0 | | |
n-acetyltyrosine, (dl)-isomer | [no description available] | medium | 1 | 0 | N-acetyl-amino acid; phenols; tyrosine derivative | human urinary metabolite |
n(6)-(delta(2)-isopentenyl)adenine | [no description available] | medium | 1 | 0 | 6-isopentenylaminopurine | cytokinin |
2-Phthalimidoglutaricacid | [no description available] | medium | 1 | 0 | glutamic acid derivative | |
nsc-87877 | [no description available] | medium | 1 | 0 | | |
methyl lithocholate | [no description available] | medium | 1 | 0 | | |
nipecotic acid amide | [no description available] | medium | 1 | 0 | piperidinecarboxamide | |
dimethacrine | [no description available] | medium | 1 | 0 | acridines | |
dehydroabietic acid | [no description available] | medium | 1 | 0 | abietane diterpenoid; carbotricyclic compound; monocarboxylic acid | allergen; metabolite |
4-deoxypyridoxine 5'-phosphate | [no description available] | medium | 1 | 0 | | |
4-(phenylthio)butanoic acid | [no description available] | medium | 1 | 0 | | |
bis-a-tda | [no description available] | medium | 1 | 0 | | |
1-amino-2-phenylethylphosphonic acid | [no description available] | medium | 1 | 0 | | |
4-fluoro-alpha-hydroxybenzeneacetic acid | [no description available] | medium | 1 | 0 | | |
Isopteropodin | [no description available] | medium | 1 | 0 | indolizines | |
benzpiperylone | [no description available] | medium | 1 | 0 | pyrazoles; ring assembly | |
carboxyamido-triazole | [no description available] | medium | 1 | 0 | | |
nsc 607097 | [no description available] | medium | 1 | 0 | | |
pacifenol | [no description available] | medium | 1 | 0 | | |
n-phenyliminodiacetic acid | [no description available] | medium | 1 | 0 | | |
cystamine hydrochloride | [no description available] | medium | 1 | 0 | | |
dipiperidinoethane-di-n-oxide | [no description available] | medium | 1 | 0 | | |
benzyl-beta-d-xyloside | [no description available] | medium | 1 | 0 | | |
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
2,4-dinitrophenylacetic acid | [no description available] | medium | 1 | 0 | | |
(5-Phenyl-1,2,4-triazol-3-yl)urea | [no description available] | medium | 1 | 0 | benzenes | |
fumagillol | [no description available] | medium | 1 | 0 | secondary alcohol; sesquiterpenoid; spiro-epoxide | antimicrobial agent |
vacquinol-1 | [no description available] | medium | 1 | 0 | | |
guaiol | [no description available] | medium | 1 | 0 | guaiane sesquiterpenoid | |
benzatropine methanesulfonate | [no description available] | medium | 1 | 0 | | |
pseudoyohimbine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
gant58 | [no description available] | medium | 1 | 0 | pyridines | |
nsc 88915 | [no description available] | medium | 1 | 0 | | |
o-acetylsolasodine | [no description available] | medium | 1 | 0 | | |
viroallosecurinine | [no description available] | medium | 1 | 0 | indolizines | |
4-methyl-2-quinazolinamine | [no description available] | medium | 1 | 0 | | |
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid | [no description available] | medium | 1 | 0 | | |
adamantoylcytarabine | [no description available] | medium | 1 | 0 | | |
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | naphthalenes | |
noscapine | [no description available] | medium | 1 | 0 | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
LSM-1290 | [no description available] | medium | 1 | 0 | benzazepine alkaloid; cyclic acetal | |
2-glycineamide-5-chlorophenyl-2-pyrryl ketone | [no description available] | medium | 1 | 0 | | |
nsc 154020 | [no description available] | medium | 1 | 0 | N-glycosyl compound | |
4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid | [no description available] | medium | 1 | 0 | 2-hydroxyisophthalic acid | |
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one | [no description available] | medium | 1 | 0 | cyclic ketone; quinuclidines | |
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine | [no description available] | medium | 1 | 0 | benzodioxoles | |
croton factor f1 | [no description available] | medium | 1 | 0 | phorbol ester; tertiary alpha-hydroxy ketone | |
medicarpin | [no description available] | medium | 1 | 0 | medicarpin | plant metabolite |
aromoline | [no description available] | medium | 1 | 0 | | |
nsc668394 | [no description available] | medium | 1 | 0 | | |
gant 61 | [no description available] | medium | 1 | 0 | aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound | antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor |
nortriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | geroprotector |
nsc 45641 | [no description available] | medium | 1 | 0 | | |
geraniol | [no description available] | medium | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
aconitic acid | [no description available] | medium | 1 | 0 | aconitic acid | fundamental metabolite |
amygdalin | [no description available] | medium | 1 | 0 | | |
alpha-phenylcinnamate | [no description available] | medium | 1 | 0 | | |
curcumin | [no description available] | medium | 1 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
ethyldimethylaminopropyl carbodiimide | [no description available] | medium | 1 | 0 | | |
tamoxifen citrate | [no description available] | medium | 1 | 0 | citrate salt | angiogenesis inhibitor; anticoronaviral agent |
eskazine | [no description available] | medium | 1 | 0 | | |
nsc 336628 | [no description available] | medium | 1 | 0 | | |
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one | [no description available] | medium | 1 | 0 | oxopurine | |
cambinol | [no description available] | medium | 1 | 0 | | |
nsc 117199 | [no description available] | medium | 1 | 0 | | |
mangostin | [no description available] | medium | 1 | 0 | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
7,8-dimethylalloxazine | [no description available] | medium | 1 | 0 | 7,8-dimethylbenzo[g]pteridine-2,4-dione | plant metabolite |
dihydrothobainone | [no description available] | medium | 1 | 0 | | |
abscisic acid | [no description available] | medium | 1 | 0 | abscisic acids | |
radicinin | [no description available] | medium | 1 | 0 | aromatic ketone | |
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid | [no description available] | medium | 1 | 0 | imidazopyrazine | |
hispanolone | [no description available] | medium | 1 | 0 | | |
veratridine | [no description available] | medium | 1 | 0 | | |
zimelidine hydrochloride | [no description available] | medium | 1 | 0 | | |
chlortetracycline hydrochloride | [no description available] | medium | 1 | 0 | | |
viridicatumtoxin | [no description available] | medium | 1 | 0 | | |
dacarbazine | [no description available] | medium | 1 | 0 | dacarbazine | |
hematein | [no description available] | medium | 1 | 0 | | |
amantadine | [no description available] | medium | 1 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
tolazoline hydrochloride | [no description available] | medium | 1 | 0 | benzenes | |
2-fluoroadenine | [no description available] | medium | 1 | 0 | organofluorine compound; purines | antineoplastic agent |
hydroxychloroquine sulfate | [no description available] | medium | 1 | 0 | | |
imidocarb | [no description available] | medium | 1 | 0 | ureas | antiprotozoal drug |
metoprine | [no description available] | medium | 1 | 0 | | |
parbendazole | [no description available] | medium | 1 | 0 | benzimidazoles; carbamate ester | |
triazinate | [no description available] | medium | 1 | 0 | | |
flucofuron | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; monochlorobenzenes; organochlorine pesticide; organofluorine pesticide; phenylureas | epitope |
epiroprim | [no description available] | medium | 1 | 0 | | |
chaparrinone | [no description available] | medium | 1 | 0 | triterpenoid | |
thianthrene 5-oxide | [no description available] | medium | 1 | 0 | | |
ro 22-3581 | [no description available] | medium | 1 | 0 | | |
3-heptyl-4-hydroxy-7-methoxy-2-methylquinoline | [no description available] | medium | 1 | 0 | | |
methotrexate | [no description available] | medium | 1 | 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 |
my 12-62c | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolone | antibacterial agent; iron chelator; metabolite; signalling molecule |
pseudolycorine | [no description available] | medium | 1 | 0 | phenanthridines | |
TCMDC-138263 | [no description available] | medium | 1 | 0 | harmala alkaloid | |
2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide | [no description available] | medium | 1 | 0 | sulfonamide | |
azoxystrobin | [no description available] | medium | 1 | 0 | aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic |
trequinsin hydrochloride | [no description available] | medium | 1 | 0 | | |
abbott 41988 | [no description available] | medium | 1 | 0 | | |
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide | [no description available] | medium | 1 | 0 | benzimidazoles | |
2-[2-methoxyethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide | [no description available] | medium | 1 | 0 | monoterpenoid | |
7-chloro-N-(phenylmethyl)-4-quinolinamine | [no description available] | medium | 1 | 0 | aminoquinoline | |
5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrile | [no description available] | medium | 1 | 0 | aromatic ketone | |
imd 0354 | [no description available] | medium | 1 | 0 | benzamides | |
daphnetin | [no description available] | medium | 1 | 0 | hydroxycoumarin | |
hispidulin | [no description available] | medium | 1 | 0 | monomethoxyflavone; trihydroxyflavone | anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
morusin | [no description available] | medium | 1 | 0 | extended flavonoid; trihydroxyflavone | antineoplastic agent; plant metabolite |
olvanil | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
pd 166285 | [no description available] | medium | 1 | 0 | | |
pd-173952 | [no description available] | medium | 1 | 0 | | |
bvt.948 | [no description available] | medium | 1 | 0 | | |
pq 401 | [no description available] | medium | 1 | 0 | quinolines | |
nik 12192 | [no description available] | medium | 1 | 0 | | |
zm 447439 | [no description available] | medium | 1 | 0 | aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor |
pha 665752 | [no description available] | medium | 1 | 0 | dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide | antineoplastic agent; c-Met tyrosine kinase inhibitor |
zstk474 | [no description available] | medium | 1 | 0 | benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
brl 15572 | [no description available] | medium | 1 | 0 | hydrochloride | prodrug; serotonergic antagonist |
puromycin dihydrochloride | [no description available] | medium | 1 | 0 | | |
au-1 | [no description available] | medium | 1 | 0 | | |
1843u89 | [no description available] | medium | 1 | 0 | | |
hesperadin | [no description available] | medium | 1 | 0 | | |
cb 3717 | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid | |
cb 3705 | [no description available] | medium | 1 | 0 | | |
alpha-hydroxyglutarate | [no description available] | low | 0 | 0 | 2-hydroxydicarboxylic acid; dicarboxylic fatty acid | metabolite; mouse metabolite |
alpha-isopropylmalate | [no description available] | low | 0 | 0 | 2-hydroxy carboxylic acid; 3-hydroxy carboxylic acid; dicarboxylic acid | metabolite |
acetoacetic acid | [no description available] | low | 0 | 0 | 3-oxo fatty acid; ketone body | metabolite |
3-hydroxybenzyl alcohol | [no description available] | low | 0 | 0 | hydroxybenzyl alcohol; phenols | metabolite |
n-carbamoyl-beta-alanine | [no description available] | low | 0 | 0 | beta-alanine derivative | metabolite; mouse metabolite |
ethylene glycol | [no description available] | low | 0 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
acetoin | [no description available] | low | 0 | 0 | methyl ketone; secondary alpha-hydroxy ketone | metabolite |
ammonium hydroxide | [no description available] | low | 0 | 0 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
benzyl alcohol | [no description available] | low | 0 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
carbon monoxide | [no description available] | low | 0 | 0 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
formic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
4-hydroxymandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy carboxylic acid; phenols | metabolite |
hydrogen sulfide | [no description available] | low | 0 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
n(1)-acetylspermidine | [no description available] | low | 0 | 0 | acetylspermidine | Escherichia coli metabolite; metabolite |
dihydrouracil | [no description available] | low | 0 | 0 | pyrimidone | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
dihydroxyacetone | [no description available] | low | 0 | 0 | ketotriose; primary alpha-hydroxy ketone | antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
dimethylamine | [no description available] | low | 0 | 0 | methylamines; secondary aliphatic amine | metabolite |
glycolic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; primary alcohol | keratolytic drug; metabolite |
hydantoin-5-propionic acid | [no description available] | low | 0 | 0 | imidazolidine-2,4-dione; monocarboxylic acid | metabolite; mouse metabolite |
niacinamide | [no description available] | low | 0 | 0 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
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 |
orotic acid | [no description available] | low | 0 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
oxaloacetic acid | [no description available] | low | 0 | 0 | C4-dicarboxylic acid; oxo dicarboxylic acid | geroprotector; metabolite |
porphobilinogen | [no description available] | low | 0 | 0 | aralkylamino compound; dicarboxylic acid; pyrroles | Escherichia coli metabolite; metabolite; mouse metabolite |
1-propanol | [no description available] | low | 0 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
trimethyloxamine | [no description available] | low | 0 | 0 | tertiary amine oxide | Escherichia coli metabolite; metabolite; osmolyte |
6-hydroxymelatonin | [no description available] | low | 0 | 0 | acetamides; tryptamines | metabolite; mouse metabolite |
n-acetylphenylalanine | [no description available] | low | 0 | 0 | N-acetyl-amino acid; phenylalanine derivative | antidepressant; metabolite |
arecoline | [no description available] | low | 0 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
dibutyl phthalate | [no description available] | low | 0 | 0 | diester; phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent |
hydroxymethyltolbutamide | [no description available] | low | 0 | 0 | benzyl alcohols; sulfonamide; ureas | metabolite |
methyl salicylate | [no description available] | low | 0 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
phenmetrazine | [no description available] | low | 0 | 0 | morpholines | metabolite; sympathomimetic agent |
safrole | [no description available] | low | 0 | 0 | benzodioxoles | flavouring agent; insecticide; metabolite; plant metabolite |
2,2'-thiodiethanol | [no description available] | low | 0 | 0 | aliphatic sulfide; diol | antineoplastic agent; antioxidant; metabolite; solvent |
sorbitol | [no description available] | low | 0 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
alloxan | [no description available] | low | 0 | 0 | pyrimidone | hyperglycemic agent; metabolite |
thymidine | [no description available] | low | 0 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
glutamine | [no description available] | low | 0 | 0 | amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
allyl isothiocyanate | [no description available] | low | 0 | 0 | alkenyl isothiocyanate; isothiocyanate | antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite |
n-methyltryptamine | [no description available] | low | 0 | 0 | tryptamine alkaloid; tryptamines | metabolite |
4-deoxypyridoxine | [no description available] | low | 0 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine | metabolite |
cycloserine | [no description available] | low | 0 | 0 | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist |
17-alpha-hydroxyprogesterone | [no description available] | low | 0 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
phenacyl bromide | [no description available] | low | 0 | 0 | acetophenones; alpha-bromoketone | metabolite |
trichloroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
acrylic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
n-methylacetamide | [no description available] | low | 0 | 0 | acetamides; monocarboxylic acid amide | metabolite |
bis(4-hydroxyphenyl)sulfone | [no description available] | low | 0 | 0 | bisphenol; sulfone | endocrine disruptor; metabolite |
7-amino-4-hydroxy-2-naphthalenesulfonic acid | [no description available] | low | 0 | 0 | aminonaphthalenesulfonic acid; naphthols | metabolite |
methyl benzoate | [no description available] | low | 0 | 0 | benzoate ester; methyl ester | insect attractant; metabolite |
2-dichlorobenzene | [no description available] | low | 0 | 0 | dichlorobenzene | hepatotoxic agent; metabolite |
2,4-diaminotoluene | [no description available] | low | 0 | 0 | aminotoluene | metabolite |
4-butyrolactone | [no description available] | low | 0 | 0 | butan-4-olide | metabolite; neurotoxin |
sulfosalicylic acid | [no description available] | low | 0 | 0 | arenesulfonic acid; benzoic acids; phenols | metabolite |
ethyl lactate | [no description available] | low | 0 | 0 | ethyl ester; lactate ester; secondary alcohol | metabolite |
furaldehyde | [no description available] | low | 0 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
thiophene-2-carboxaldehyde | [no description available] | low | 0 | 0 | aldehyde; thiophenes | metabolite |
alpha-resorcylic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid; resorcinols | metabolite |
methylenebis(chloroaniline) | [no description available] | low | 0 | 0 | chloroaniline | metabolite |
2-phenylethyl acetate | [no description available] | low | 0 | 0 | acetate ester | metabolite; Saccharomyces cerevisiae metabolite |
dibenzyl ether | [no description available] | low | 0 | 0 | benzyl ether | metabolite |
ethyl propionate | [no description available] | low | 0 | 0 | propanoate ester | metabolite |
citronellal | [no description available] | low | 0 | 0 | aldehyde; monoterpenoid | antifungal agent; metabolite |
ethyl oenanthate | [no description available] | low | 0 | 0 | fatty acid ethyl ester | metabolite |
ethyl caprylate | [no description available] | low | 0 | 0 | fatty acid ethyl ester; octanoate ester | metabolite |
ethyl laurate | [no description available] | low | 0 | 0 | fatty acid ethyl ester | metabolite |
acetic anhydride | [no description available] | low | 0 | 0 | acyclic carboxylic anhydride | metabolite; reagent |
ethyl isovalerate | [no description available] | low | 0 | 0 | fatty acid ethyl ester; olefinic compound | metabolite |
n-butyl n-butyrate | [no description available] | low | 0 | 0 | butyrate ester | metabolite |
ethyl decanoate | [no description available] | low | 0 | 0 | decanoate ester; fatty acid ethyl ester | metabolite |
methyl octanoate | [no description available] | low | 0 | 0 | fatty acid methyl ester; octanoate ester | metabolite |
2-octanone | [no description available] | low | 0 | 0 | methyl ketone | metabolite |
hexylamine | [no description available] | low | 0 | 0 | primary aliphatic amine | metabolite |
lauric acid methyl ester | [no description available] | low | 0 | 0 | dodecanoate ester; fatty acid methyl ester | metabolite |
octylamine | [no description available] | low | 0 | 0 | primary aliphatic amine | metabolite |
n-decyl alcohol | [no description available] | low | 0 | 0 | decanol; primary alcohol | metabolite; pheromone; protic solvent |
methyl palmitate | [no description available] | low | 0 | 0 | fatty acid methyl ester | metabolite |
maltol | [no description available] | low | 0 | 0 | 4-pyranones | metabolite |
chloranil | [no description available] | low | 0 | 0 | 1,4-benzoquinones; organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite |
dibenzoylmethane | [no description available] | low | 0 | 0 | aromatic ketone; beta-diketone | antimutagen; antineoplastic agent; metabolite |
methyl anthranilate | [no description available] | low | 0 | 0 | benzoate ester | flavouring agent; metabolite |
benzyl acetate | [no description available] | low | 0 | 0 | acetate ester; benzyl ester | metabolite |
ethyl acetate | [no description available] | low | 0 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
dibenzyl disulfide | [no description available] | low | 0 | 0 | organic aromatic compound; organic disulfide | metabolite |
mequinol | [no description available] | low | 0 | 0 | methoxybenzenes; phenols | metabolite |
gamma-resorcylic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid | metabolite |
kynuramine | [no description available] | low | 0 | 0 | kynurenamines; primary amino compound | metabolite |
5-methylpyrazole-3-carboxylic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; pyrazoles | metabolite |
4-trifluoromethylaniline | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; substituted aniline | metabolite |
methylguanidine | [no description available] | low | 0 | 0 | guanidines | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin |
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 |
imperatorin | [no description available] | low | 0 | 0 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
Dillapiole | [no description available] | low | 0 | 0 | benzodioxoles | metabolite |
coumaran | [no description available] | low | 0 | 0 | 1-benzofurans | metabolite |
1,3-propanediol | [no description available] | low | 0 | 0 | propane-1,3-diols | metabolite; protic solvent |
tridecanedioic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | metabolite |
physcione | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite |
apiole | [no description available] | low | 0 | 0 | benzodioxoles | metabolite |
flavone | [no description available] | low | 0 | 0 | flavones | metabolite; nematicide |
cetyl palmitate | [no description available] | low | 0 | 0 | hexadecanoate ester | metabolite |
n-amyl butyrate | [no description available] | low | 0 | 0 | butyrate ester | metabolite |
3-aminobutyric acid | [no description available] | low | 0 | 0 | amino acid zwitterion; beta-amino acid; monocarboxylic acid | metabolite |
methyl lactate | [no description available] | low | 0 | 0 | lactate ester; methyl ester | metabolite |
paeonol | [no description available] | low | 0 | 0 | methoxybenzenes; phenols | metabolite |
2,2-dimethylbutyric acid | [no description available] | low | 0 | 0 | dimethylbutyric acid | metabolite |
2-chloroacrylic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; chlorocarboxylic acid | metabolite |
galactitol | [no description available] | low | 0 | 0 | hexitol | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
1-methyluracil | [no description available] | low | 0 | 0 | nucleobase analogue; pyrimidone | metabolite |
2-pyrrolidone | [no description available] | low | 0 | 0 | pyrrolidin-2-ones | metabolite; polar solvent |
n-ethylacetamide | [no description available] | low | 0 | 0 | acetamides | metabolite |
6-methyluracil | [no description available] | low | 0 | 0 | pyrimidone | metabolite |
3-methylglutaric acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | metabolite |
amyl acetate | [no description available] | low | 0 | 0 | acetate ester | metabolite |
dibenzothiophene 5-oxide | [no description available] | low | 0 | 0 | dibenzothiophenes | metabolite |
2-acetamidoethanethiol | [no description available] | low | 0 | 0 | acetamides | metabolite |
2-hydroxyquinoxaline | [no description available] | low | 0 | 0 | hydroxyquinoxaline | metabolite |
3,4-dihydroxyacetophenone | [no description available] | low | 0 | 0 | acetophenones; catechols; dihydroxyacetophenone | metabolite |
methyl hippurate | [no description available] | low | 0 | 0 | glycine derivative; methyl ester | metabolite |
isobarbaloin | [no description available] | low | 0 | 0 | anthracenes; C-glycosyl compound; cyclic ketone; phenols | laxative; metabolite |
methyl tert-butyl ether | [no description available] | low | 0 | 0 | ether | fuel additive; metabolite; non-polar solvent |
4-octylphenol | [no description available] | low | 0 | 0 | phenols | metabolite; surfactant; xenoestrogen |
dronabinol | [no description available] | low | 0 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
phenethyl isothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate | antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite |
2-methoxy-1,4-naphthoquinone | [no description available] | low | 0 | 0 | 1,4-naphthoquinones; enol ether | antimicrobial agent; metabolite; plant metabolite |
aviprin | [no description available] | low | 0 | 0 | furanocoumarin | metabolite |
hydroxyphenytoin | [no description available] | low | 0 | 0 | imidazolidine-2,4-dione; phenols | metabolite |
squaric acid | [no description available] | low | 0 | 0 | alicyclic ketone; carbon oxoacid | metabolite |
methyl methanethiosulfonate | [no description available] | low | 0 | 0 | sulfonic acid derivative; thiosulfonate ester | metabolite |
arabinofuranosyluracil | [no description available] | low | 0 | 0 | N-glycosyl compound | metabolite |
6-aminonicotinic acid | [no description available] | low | 0 | 0 | aminonicotinic acid; aminopyridine; aromatic amine | metabolite |
mannose | [no description available] | low | 0 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
2,3-hexanedione | [no description available] | low | 0 | 0 | alpha-diketone | metabolite |
tabersonine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | antineoplastic agent; metabolite |
3,3-dimethylglutarate | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | metabolite |
raspberry ketone | [no description available] | low | 0 | 0 | methyl ketone; phenols | androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite |
laurolitsine | [no description available] | low | 0 | 0 | aporphine alkaloid; aromatic ether; phenols | HIV-1 integrase inhibitor; metabolite |
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 |
diethyl malate | [no description available] | low | 0 | 0 | malate ester | metabolite |
carbendazim | [no description available] | low | 0 | 0 | benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent |
glucoheptonate | [no description available] | low | 0 | 0 | carbohydrate acid; monocarboxylic acid | metabolite |
deslanoside | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 14beta-hydroxy steroid; cardenolide glycoside; tetrasaccharide derivative | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite |
streptozocin | [no description available] | low | 0 | 0 | N-acylglucosamine; N-nitrosoureas | antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite |
pedalitin | [no description available] | low | 0 | 0 | monomethoxyflavone; tetrahydroxyflavone | EC 1.17.3.2 (xanthine oxidase) inhibitor; metabolite |
ethyl nonanoate | [no description available] | low | 0 | 0 | fatty acid ethyl ester | metabolite |
ethyl hexanoate | [no description available] | low | 0 | 0 | fatty acid ethyl ester; hexanoate ester | metabolite |
butyl acetate | [no description available] | low | 0 | 0 | acetate ester | metabolite |
1,4-dioxane | [no description available] | low | 0 | 0 | dioxane; volatile organic compound | carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent |
isoamyl acetate | [no description available] | low | 0 | 0 | acetate ester | metabolite; Saccharomyces cerevisiae metabolite |
ribostamycin | [no description available] | low | 0 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | antibacterial drug; antimicrobial agent; metabolite |
tramadol | [no description available] | low | 0 | 0 | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol | adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor |
6-pentylpyrone | [no description available] | low | 0 | 0 | 2-pyranones | metabolite |
4-methylhistamine | [no description available] | low | 0 | 0 | aralkylamino compound; imidazoles | histamine agonist; metabolite |
perfosfamide | [no description available] | low | 0 | 0 | nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide | alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite |
pravastatin | [no description available] | low | 0 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
3-methyl-2-butenal | [no description available] | low | 0 | 0 | enal | metabolite |
ethyl 3-hydroxybutyrate | [no description available] | low | 0 | 0 | fatty acid ethyl ester | metabolite |
4,5-dimethyl-3-hydroxy-2(5h)-furanone | [no description available] | low | 0 | 0 | butenolide | metabolite |
n-methylnicotinamide | [no description available] | low | 0 | 0 | pyridinecarboxamide | metabolite |
3-aminoisobutyric acid | [no description available] | low | 0 | 0 | amino acid zwitterion; beta-amino acid | metabolite |
platanic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; methyl ketone; pentacyclic triterpenoid | anti-HIV agent; metabolite |
2'-deoxyuridylic acid | [no description available] | low | 0 | 0 | deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
gallocatechol | [no description available] | low | 0 | 0 | gallocatechin | antioxidant; metabolite; radical scavenger |
1-methylinosine | [no description available] | low | 0 | 0 | inosines | metabolite |
dihydrobetulinic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; antileishmanial agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite |
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 |
3'-cmp | [no description available] | low | 0 | 0 | cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
xanthoxyletin | [no description available] | low | 0 | 0 | coumarins | metabolite |
orsellinic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid; resorcinols | fungal metabolite; marine metabolite; metabolite |
isoimperatorin | [no description available] | low | 0 | 0 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
seselin | [no description available] | low | 0 | 0 | coumarins | metabolite |
perillene | [no description available] | low | 0 | 0 | furans; monoterpenoid | fragrance; metabolite; semiochemical |
glycine methyl ester | [no description available] | low | 0 | 0 | glycinyl ester | metabolite |
hexadecanamide | [no description available] | low | 0 | 0 | primary fatty amide | metabolite |
benzocyclobutene | [no description available] | low | 0 | 0 | carbobicyclic compound | metabolite |
9-methyladenine | [no description available] | low | 0 | 0 | methyladenine | metabolite |
n'-methyl-2-pyridone-5-carboxamide | [no description available] | low | 0 | 0 | methylpyridines; pyridinecarboxamide; pyridone | metabolite; mouse metabolite |
1,3-dimethyluracil | [no description available] | low | 0 | 0 | pyrimidone | metabolite |
3-methoxysalicylic acid | [no description available] | low | 0 | 0 | methoxysalicylic acid | metabolite |
1,3-dimethyluric acid | [no description available] | low | 0 | 0 | oxopurine | metabolite |
leucyltyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
3-methylxanthine | [no description available] | low | 0 | 0 | 3-methylxanthine | metabolite |
leucyl-glycyl-glycine | [no description available] | low | 0 | 0 | tripeptide | metabolite |
acetylleucine | [no description available] | low | 0 | 0 | L-leucine derivative; N-acetyl-L-amino acid | metabolite |
n-benzoylalanine, (dl-ala)-isomer | [no description available] | low | 0 | 0 | alanine derivative; N-acyl-amino acid | metabolite |
dipropylacetamide | [no description available] | low | 0 | 0 | fatty amide | geroprotector; metabolite; teratogenic agent |
masoprocol | [no description available] | low | 0 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
7-methyladenine | [no description available] | low | 0 | 0 | methyladenine | metabolite |
acetylisoniazid | [no description available] | low | 0 | 0 | carbohydrazide | metabolite |
illimaquinone | [no description available] | low | 0 | 0 | monohydroxy-1,4-benzoquinones; prenylquinone | metabolite |
coptisine | [no description available] | low | 0 | 0 | alkaloid | metabolite |
narciclasine | [no description available] | low | 0 | 0 | phenanthridines | metabolite |
lividomycin | [no description available] | low | 0 | 0 | lividomycins | metabolite |
dmp 323 | [no description available] | low | 0 | 0 | diazepanone; ureas | anti-HIV agent; metabolite |
eupolauridine | [no description available] | low | 0 | 0 | naphthyridine derivative | metabolite |
zaluzanin C | [no description available] | low | 0 | 0 | gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
2-aminonicotinic acid | [no description available] | low | 0 | 0 | aminonicotinic acid; aminopyridine | metabolite |
(-)-catechin | [no description available] | low | 0 | 0 | catechin | metabolite |
Tormentic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
pinobanksin | [no description available] | low | 0 | 0 | secondary alpha-hydroxy ketone; trihydroxyflavanone | antimutagen; antioxidant; metabolite |
sigmoidin a | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; tetrahydroxyflavanone | anti-inflammatory agent; anti-obesity agent; antibacterial agent; metabolite; radical scavenger |
xanthosine 5'-triphosphate | [no description available] | low | 0 | 0 | purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
monotropein | [no description available] | low | 0 | 0 | beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monocarboxylic acid; monosaccharide derivative | anti-inflammatory agent; metabolite |
glycyl-histidyl-lysine | [no description available] | low | 0 | 0 | tripeptide | chelator; hepatoprotective agent; metabolite; vulnerary |
arjunolic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | antibacterial agent; antifungal agent; antioxidant; metabolite |
oxazolidin-2-one | [no description available] | low | 0 | 0 | carbamate ester; oxazolidinone | metabolite |
monoethyl phthalate | [no description available] | low | 0 | 0 | ethyl ester; phthalic acid monoester | metabolite |
methylimidazoleacetic acid | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid | GABA agonist; metabolite |
2-(2-aminoethyl)pyridine | [no description available] | low | 0 | 0 | aminoalkylpyridine; primary amine | histamine agonist; metabolite |
xanthurenic acid 8-methyl ether | [no description available] | low | 0 | 0 | aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid | carcinogenic agent; metabolite; mouse metabolite |
methyl orsellinate | [no description available] | low | 0 | 0 | hydroxybenzoic acid | metabolite |
2,2-di(4-methacryloxyphenyl)propane | [no description available] | low | 0 | 0 | bisphenol; enoate ester | metabolite |
sofosbuvir | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic carboxylic acid; nucleobase analogue; pyrimidone | metabolite |
3-methyluracil | [no description available] | low | 0 | 0 | nucleobase analogue; pyrimidone | metabolite |
1-methylcytosine | [no description available] | low | 0 | 0 | aminopyrimidine; methylcytosine; pyrimidone | metabolite |
leucyl-alanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
leucyl-leucyl-leucine | [no description available] | low | 0 | 0 | tripeptide | metabolite |
3,4-dihydroxyphenylethanol | [no description available] | low | 0 | 0 | catechols; primary alcohol | antineoplastic agent; antioxidant; metabolite |
3,7-dimethyluric acid | [no description available] | low | 0 | 0 | oxopurine | metabolite; mouse metabolite |
alanylproline | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
d-biotin-d-sulfoxide | [no description available] | low | 0 | 0 | biotins; sulfoxide | metabolite |
biotin sulfone | [no description available] | low | 0 | 0 | biotins; sulfone | metabolite |
asperuloside | [no description available] | low | 0 | 0 | acetate ester; beta-D-glucoside; gamma-lactone; iridoid monoterpenoid; monosaccharide derivative | metabolite |
primin | [no description available] | low | 0 | 0 | 1,4-benzoquinones | allergen; antifeedant; antimicrobial agent; hapten; metabolite |
2-(hydroxymethyl)anthraquinone | [no description available] | low | 0 | 0 | anthraquinone | metabolite |
tyrosylleucine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
o-methylserine | [no description available] | low | 0 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid | metabolite |
3,4-dihydroxyphenylglycol | [no description available] | low | 0 | 0 | catechols; tetrol | metabolite; mouse metabolite |
2-methylhistamine | [no description available] | low | 0 | 0 | aralkylamino compound; imidazoles | histamine agonist; metabolite |
2-methylhippuric acid | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
taraxerol | [no description available] | low | 0 | 0 | pentacyclic triterpenoid; secondary alcohol | metabolite |
alpha-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols | antineoplastic agent; metabolite |
3-acetyllupeol | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
lupenone | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
glycyltryptophan | [no description available] | low | 0 | 0 | dipeptide | metabolite |
monocerin | [no description available] | low | 0 | 0 | hydroxybenzoic acid | metabolite |
propionyl-coenzyme a | [no description available] | low | 0 | 0 | acyl-CoA | Escherichia coli metabolite; metabolite; mouse metabolite |
alpha-hydroxyisocaproic acid | [no description available] | low | 0 | 0 | 2-hydroxy fatty acid; branched-chain fatty acid | metabolite |
totarol | [no description available] | low | 0 | 0 | diterpenoid | metabolite |
taraxerone | [no description available] | low | 0 | 0 | scalarane sesterterpenoid | metabolite |
uvaol | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
glycyltyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycylleucine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
alanyltyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycyl-l-phenylalanine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | human metabolite; metabolite |
digoxigenin-mono(digitoxoside) | [no description available] | low | 0 | 0 | cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid saponin | metabolite |
thiazolidine-4-carboxylic acid, (r)-isomer | [no description available] | low | 0 | 0 | thiazolidinemonocarboxylic acid; thioproline | geroprotector; metabolite |
5,6-dihydrothymine | [no description available] | low | 0 | 0 | pyrimidone | human metabolite; metabolite; mouse metabolite |
palmitone | [no description available] | low | 0 | 0 | dialkyl ketone | anticonvulsant; metabolite |
1-methylthymine | [no description available] | low | 0 | 0 | methylthymine | metabolite |
imidazoleacetic acid | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid | metabolite; mouse metabolite |
1-methylguanosine | [no description available] | low | 0 | 0 | methylguanosine | metabolite |
alanylphenylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
murrayanine | [no description available] | low | 0 | 0 | carbazoles | metabolite |
girinimbine | [no description available] | low | 0 | 0 | carbazoles | metabolite |
tryptophylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
canthin-6-one | [no description available] | low | 0 | 0 | enone; indole alkaloid; organic heterotetracyclic compound | antimycobacterial drug; metabolite |
glycylaspartic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
4-methylhippuric acid | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
delta(9)-tetrahydrocannabinolic acid | [no description available] | low | 0 | 0 | benzochromene; diterpenoid; hydroxy monocarboxylic acid; phytocannabinoid; polyketide | anti-inflammatory agent; biomarker; metabolite; neuroprotective agent |
3-methylhippuric acid | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
n-glycylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
n-caproylglycine | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
diosgenin | [no description available] | low | 0 | 0 | 3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal | antineoplastic agent; antiviral agent; apoptosis inducer; metabolite |
s-2-aminoethyl cysteine | [no description available] | low | 0 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor; metabolite; protein synthesis inhibitor |
4-hydroxycyclophosphamide | [no description available] | low | 0 | 0 | nitrogen mustard; organochlorine compound; phosphorodiamide | alkylating agent; metabolite |
alpha-glutamyltryptophan | [no description available] | low | 0 | 0 | dipeptide | angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite |
malabaricone c | [no description available] | low | 0 | 0 | butanone | metabolite |
loliolide | [no description available] | low | 0 | 0 | benzofurans | metabolite |
tuberostemonine | [no description available] | low | 0 | 0 | alkaloid | metabolite |
pyrrole-3-carboxylic acid | [no description available] | low | 0 | 0 | pyrrolecarboxylic acid | metabolite; Penicillium metabolite |
histidylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
histidinoalanine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
quillaic acid | [no description available] | low | 0 | 0 | aldehyde; hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; metabolite |
p-methoxy-n-methylphenethylamine | [no description available] | low | 0 | 0 | aromatic ether; secondary amino compound | metabolite |
ecgonine methyl ester | [no description available] | low | 0 | 0 | methyl ester; tertiary amino compound; tropane alkaloid | analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug |
n-acetylcytidine | [no description available] | low | 0 | 0 | acetamides; cytidines; secondary carboxamide | metabolite |
4-hydroxydebrisoquin | [no description available] | low | 0 | 0 | carboxamidine; isoquinolines; secondary alcohol | metabolite |
hypotaurine | [no description available] | low | 0 | 0 | aminosulfinic acid; zwitterion | human metabolite; metabolite; mouse metabolite |
hc toxin | [no description available] | low | 0 | 0 | homodetic cyclic peptide; tetrapeptide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; metabolite; phytotoxin |
epicatechin gallate | [no description available] | low | 0 | 0 | catechin; gallate ester; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
versiconal hemiacetal acetate | [no description available] | low | 0 | 0 | acetate ester; anthrafuran; lactol; palmitoyl amino acid; polyphenol | metabolite |
selenodiglutathione | [no description available] | low | 0 | 0 | glutathione derivative; thioselenide | Escherichia coli metabolite; metabolite |
coprine | [no description available] | low | 0 | 0 | cyclopropanes; dicarboxylic acid monoamide; L-glutamine derivative; non-proteinogenic L-alpha-amino acid | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite; mycotoxin |
aristolochic acid ii | [no description available] | low | 0 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
exp3174 | [no description available] | low | 0 | 0 | biphenylyltetrazole; imidazoles; organochlorine compound | metabolite |
ribonolactone | [no description available] | low | 0 | 0 | butan-4-olide; ribonolactone | metabolite |
sulfamethoxazole hydroxylamine | [no description available] | low | 0 | 0 | isoxazoles; sulfonamide | allergen; metabolite |
androsterone glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; steroid glucosiduronic acid | human metabolite; metabolite; mouse metabolite |
tephrosin | [no description available] | low | 0 | 0 | aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; pesticide |
sapintoxin d | [no description available] | low | 0 | 0 | phorbol ester; tertiary alpha-hydroxy ketone | fluorescent probe; metabolite |
amarogentin | [no description available] | low | 0 | 0 | monosaccharide derivative; secoiridoid glycoside | EC 5.99.1.2 (DNA topoisomerase) inhibitor; metabolite |
taraxasterol | [no description available] | low | 0 | 0 | pentacyclic triterpenoid; secondary alcohol | anti-inflammatory agent; metabolite |
flavoglaucin | [no description available] | low | 0 | 0 | hydroquinones | metabolite |
1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone | [no description available] | low | 0 | 0 | benzofurans | metabolite |
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 |
maculosin | [no description available] | low | 0 | 0 | dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine | metabolite |
n(4)-methylcytosine | [no description available] | low | 0 | 0 | aminopyrimidine; methylcytosine; pyrimidone | metabolite |
n-acetylputrescine | [no description available] | low | 0 | 0 | N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine | metabolite; mouse metabolite |
4'-demethylpodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole; organic heterotetracyclic compound; phenols | metabolite |
lysicamine | [no description available] | low | 0 | 0 | alkaloid antibiotic; oxoaporphine alkaloid | metabolite |
procyanidin b2 | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | antioxidant; metabolite |
aromadedrin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; dihydroflavonols; secondary alpha-hydroxy ketone; tetrahydroxyflavanone | metabolite |
3-methylthymine | [no description available] | low | 0 | 0 | methylthymine; pyrimidone | metabolite |
tyrosyl-glycyl-glycine | [no description available] | low | 0 | 0 | tripeptide zwitterion; tripeptide | metabolite |
cyclic adp-ribose | [no description available] | low | 0 | 0 | cyclic purine nucleotide; nucleotide-sugar | metabolite; ryanodine receptor agonist |
glycylglutamine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite; protective agent |
alanylglutamine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
naadp | [no description available] | low | 0 | 0 | nicotinic acid dinucleotide | calcium channel agonist; metabolite; signalling molecule |
procyanidin b5 | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | metabolite |
proanthocyanidin a2 | [no description available] | low | 0 | 0 | hydroxyflavan; proanthocyanidin | angiogenesis modulating agent; anti-HIV agent; antioxidant; metabolite |
dihydrosanguinarine | [no description available] | low | 0 | 0 | benzophenanthridine alkaloid | antifungal agent; metabolite |
tetrahydrocurcumin | [no description available] | low | 0 | 0 | beta-diketone; diarylheptanoid; polyphenol | metabolite |
eriodictyol 7-glucuronide | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; beta-D-glucosiduronic acid | EC 1.1.1.21 (aldehyde reductase) inhibitor; metabolite |
beta-lipotropin, gln(9)- | [no description available] | low | 0 | 0 | catechols; crown compound; macrocyclic lactone | bacterial metabolite; metabolite |
4-nitrososulfamethoxazole | [no description available] | low | 0 | 0 | isoxazoles; nitroso compound; sulfonamide | allergen; metabolite |
protosappanin a | [no description available] | low | 0 | 0 | catechols | metabolite |
3,3'-neotrehalosadiamine | [no description available] | low | 0 | 0 | amino disaccharide; glycosyl glycoside derivative | antimicrobial agent; metabolite |
salvinorin a | [no description available] | low | 0 | 0 | organic heterotricyclic compound; organooxygen compound | metabolite; oneirogen |
cyanidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antioxidant; metabolite; neuroprotective agent |
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 |
marsupsin | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; polyphenol | antilipemic drug; hypoglycemic agent; metabolite |
6,6'-bieckol | [no description available] | low | 0 | 0 | aromatic ether; oxacycle; phlorotannin | anti-HIV-1 agent; metabolite; radical scavenger |
3-methylcytosine | [no description available] | low | 0 | 0 | aminopyrimidine; methylcytosine; pyrimidone | metabolite |
eckol | [no description available] | low | 0 | 0 | phlorotannin | antioxidant; metabolite |
procyanidin b3 | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; antioxidant; EC 2.3.1.48 (histone acetyltransferase) inhibitor; 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 |
phenylalanylarginine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
prolylarginine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
5-methoxytryptophan | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; L-tryptophan derivative | metabolite |
phenylalanylglutamate | [no description available] | low | 0 | 0 | dipeptide | metabolite |
aspartylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
aspartylglutamate | [no description available] | low | 0 | 0 | dipeptide | metabolite |
5-hydroxypipecolic acid | [no description available] | low | 0 | 0 | piperidinemonocarboxylic acid | metabolite |
prolyl-tyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
histidylproline | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
phenylalanyl-glycyl-glycine | [no description available] | low | 0 | 0 | tripeptide | metabolite |
leucylarginine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
pendolmycin | [no description available] | low | 0 | 0 | indoles | metabolite |
atractylenolide iii | [no description available] | low | 0 | 0 | naphthofuran | metabolite |
malvidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | biological pigment; metabolite |
5-hydroxytryptoline | [no description available] | low | 0 | 0 | beta-carbolines | metabolite |
perlolyrine | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
endocrocin | [no description available] | low | 0 | 0 | monocarboxylic acid; phenols; trihydroxyanthraquinone | metabolite |
sulochrin | [no description available] | low | 0 | 0 | benzophenones; carboxylic ester; phenols | metabolite |
i-677 | [no description available] | low | 0 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid | antimetabolite; antimicrobial agent; antineoplastic agent; metabolite |
isohomovanillic acid | [no description available] | low | 0 | 0 | aromatic ether; phenols; phenylacetic acids | metabolite |
4-amino-2-methoxypyrimidine | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic ether; methylcytosine | metabolite |
asimilobine | [no description available] | low | 0 | 0 | aporphine alkaloid | metabolite |
aristolochic acid D | [no description available] | low | 0 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; nephrotoxin; toxin |
leukodopachrome | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; indoles | metabolite |
ampelopsin | [no description available] | low | 0 | 0 | dihydromyricetin; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; metabolite |
pinusolide | [no description available] | low | 0 | 0 | diterpene lactone | metabolite |
2,4,5-trihydroxypentanoic acid gamma-lactone | [no description available] | low | 0 | 0 | ribonolactone | metabolite |
hydroxysitosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid | metabolite; plant metabolite |
jolkinolide a | [no description available] | low | 0 | 0 | diterpene lactone | metabolite |
jolkinolide b | [no description available] | low | 0 | 0 | diterpene lactone | metabolite |
1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine | [no description available] | low | 0 | 0 | 1-alkyl-sn-glycero-3-phosphocholine; lysophosphatidylcholine O-16:0 | metabolite |
dopamine quinone | [no description available] | low | 0 | 0 | 1,2-benzoquinones; primary amino compound | metabolite |
platycodin d | [no description available] | low | 0 | 0 | triterpenoid saponin | metabolite |
frenolicin b | [no description available] | low | 0 | 0 | benzoisochromanequinone; p-quinones | metabolite |
4-oxopentanal | [no description available] | low | 0 | 0 | ketoaldehyde | metabolite |
3,4-dihydroxyphenylpyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid | metabolite |
proximadiol | [no description available] | low | 0 | 0 | eudesmane sesquiterpenoid | metabolite |
aristolochic acid c | [no description available] | low | 0 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
phenylacetyl-coenzyme a | [no description available] | low | 0 | 0 | acyl-CoA | Escherichia coli metabolite; metabolite; mouse metabolite |
taxusin | [no description available] | low | 0 | 0 | acetate ester; carbotricyclic compound; taxane diterpenoid | metabolite |
confertin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide | anti-inflammatory agent; metabolite; plant metabolite |
beta-methylcrotonylglycine | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
tracheloside | [no description available] | low | 0 | 0 | glycoside; lignan | metabolite |
maytenonic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
procyanidin C1 | [no description available] | low | 0 | 0 | hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; lipoxygenase inhibitor; metabolite |
3-methyleneindolenine | [no description available] | low | 0 | 0 | indoles | metabolite |
isopulegol | [no description available] | low | 0 | 0 | p-menthane monoterpenoid | metabolite |
kadsurin | [no description available] | low | 0 | 0 | tannin | metabolite |
lysylproline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
5-o-methylembelin | [no description available] | low | 0 | 0 | enol ether; monohydroxy-1,4-benzoquinones | antileishmanial agent; antineoplastic agent; hepatitis C protease inhibitor; metabolite |
dihydrodaidzein | [no description available] | low | 0 | 0 | hydroxyisoflavanone | metabolite |
4'-o-methylepigallocatechin | [no description available] | low | 0 | 0 | catechin | metabolite |
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 |
dichamanetin | [no description available] | low | 0 | 0 | diarylheptanoid | metabolite |
brevianamide f | [no description available] | low | 0 | 0 | dipeptide; indoles; pyrrolopyrazine | metabolite |
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 |
4-sulfocatechol | [no description available] | low | 0 | 0 | dihydroxybenzenesulfonic acid | metabolite |
histidylleucine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
7-methoxyheptaphylline | [no description available] | low | 0 | 0 | carbazoles | metabolite |
phenylalanylserine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
phellamurin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; beta-D-glucoside; dihydroflavonols; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone | metabolite |
prolylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
nantenine | [no description available] | low | 0 | 0 | oxoaporphine alkaloid | metabolite |
butyrylcarnitine | [no description available] | low | 0 | 0 | O-butanoylcarnitine; saturated fatty acyl-L-carnitine | metabolite |
2-hydroxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
aromaticin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | anti-inflammatory agent; metabolite; plant metabolite |
n-methylcorydaldine | [no description available] | low | 0 | 0 | quinolone | metabolite |
2-amino-3,3-dimethylbutanoic acid | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | metabolite |
pentabromopseudilin | [no description available] | low | 0 | 0 | pyrroles | metabolite |
rocaglamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound | antileishmanial agent; antineoplastic agent; metabolite |
dentatin | [no description available] | low | 0 | 0 | coumarins | metabolite |
enmein | [no description available] | low | 0 | 0 | delta-lactone | metabolite |
5-aminonicotinic acid | [no description available] | low | 0 | 0 | aminonicotinic acid; aminopyridine; aromatic amine | metabolite |
pomolic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
aglafoline | [no description available] | low | 0 | 0 | methyl ester; organic heterotricyclic compound | metabolite; platelet aggregation inhibitor |
isomaltose | [no description available] | low | 0 | 0 | glycosylglucose | human metabolite; metabolite; mouse metabolite |
deoxyglucose | [no description available] | low | 0 | 0 | 2-deoxy-D-glucose | metabolite |
vestitone | [no description available] | low | 0 | 0 | (3R)-2'-hydroxyisoflavanones; hydroxyisoflavanone; methoxyisoflavanone | antibacterial agent; metabolite |
pantetheine | [no description available] | low | 0 | 0 | pantetheines; thiol | human metabolite; metabolite; mouse metabolite |
salicin | [no description available] | low | 0 | 0 | aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
n-formylmethionine | [no description available] | low | 0 | 0 | L-methionine derivative; N-formyl amino acid; proteinogenic amino acid | metabolite |
fucose | [no description available] | low | 0 | 0 | deoxygalactose | metabolite |
saponarin | [no description available] | low | 0 | 0 | C-glycosyl compound; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative | metabolite |
hippeastrine | [no description available] | low | 0 | 0 | delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol | antineoplastic agent; metabolite |
cyanidin 3-o-beta-d-glucopyranoside | [no description available] | low | 0 | 0 | anthocyanin cation; beta-D-glucoside; monosaccharide derivative | metabolite |
silychristin | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone | lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger |
peonidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent; antioxidant; apoptosis inducer; metabolite |
convallatoxin | [no description available] | low | 0 | 0 | 14beta-hydroxy steroid; 19-oxo steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; steroid aldehyde; steroid lactone | metabolite; vasodilator agent |
furostanol i | [no description available] | low | 0 | 0 | beta-D-glucoside; cyclic hemiketal; pentacyclic triterpenoid; steroid saponin; trisaccharide derivative | metabolite |
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 |
abyssinone v | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; phenols; trihydroxyflavanone | metabolite |
davidigenin | [no description available] | low | 0 | 0 | dihydrochalcones; polyphenol | anti-allergic agent; anti-asthmatic agent; antioxidant; metabolite |
farrerol | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
cleomiscosin a | [no description available] | low | 0 | 0 | aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol | anti-inflammatory agent; metabolite |
vicenin ii | [no description available] | low | 0 | 0 | C-glycosyl compound; trihydroxyflavone | 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 |
alpha bitter acid | [no description available] | low | 0 | 0 | aromatic ketone; cyclic ketone; diketone; tertiary alpha-hydroxy ketone; triol | antibacterial drug; antioxidant; cyclooxygenase 2 inhibitor; metabolite |
acanthoside b | [no description available] | low | 0 | 0 | beta-D-glucoside | metabolite |
chlorpromazine n-oxide | [no description available] | low | 0 | 0 | organochlorine compound; phenothiazines; tertiary amine oxide | metabolite |
3-hydroxyaspartic acid, (threo-l)-isomer | [no description available] | low | 0 | 0 | 3-hydroxy-L-aspartic acid | metabolite |
cyclo(l-phe-l-pro) | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
pyochelin | [no description available] | low | 0 | 0 | monocarboxylic acid; phenols; thiazolidines | metabolite; siderophore |
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 |
petunidin-3-glucoside | [no description available] | low | 0 | 0 | anthocyanin cation; aromatic ether; beta-D-glucoside | antioxidant; metabolite |
malvidin-3-glucoside | [no description available] | low | 0 | 0 | anthocyanin cation; aromatic ether; beta-D-glucoside | metabolite |
dioncophylline a | [no description available] | low | 0 | 0 | biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthalenes | antifungal agent; antimalarial; metabolite; molluscicide |
dioncophylline c | [no description available] | low | 0 | 0 | aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols | antimalarial; antiplasmodial drug; metabolite |
latrunculin a | [no description available] | low | 0 | 0 | cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone | actin polymerisation inhibitor; metabolite; toxin |
aglucovancomycin b | [no description available] | low | 0 | 0 | cyclic ether; heterodetic cyclic peptide; peptide antibiotic; peptide zwitterion; polyphenol | metabolite |
(S)-ATPA | [no description available] | low | 0 | 0 | isoxazoles; non-proteinogenic L-alpha-amino acid | metabolite |
epothilone a | [no description available] | low | 0 | 0 | epothilone; epoxide | antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator |
isoleucylvaline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
afimoxifene | [no description available] | low | 0 | 0 | phenols; tertiary amino compound | antineoplastic agent; estrogen receptor antagonist; metabolite |
3-hydroxyhippuric acid | [no description available] | low | 0 | 0 | N-acylglycine; phenols | metabolite |
conidendrin | [no description available] | low | 0 | 0 | lignan | metabolite |
bevirimat | [no description available] | low | 0 | 0 | dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid | HIV-1 maturation inhibitor; metabolite |
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 |
16beta,17-dihydroxy-ent-kaurane-19-oic acid | [no description available] | low | 0 | 0 | bridged compound; diol; ent-kaurane diterpenoid; hydroxy monocarboxylic acid; primary alcohol; tertiary alcohol | anti-HIV agent; metabolite |
glycyrin | [no description available] | low | 0 | 0 | aromatic ether; coumarins; hydroxyisoflavans | antibacterial agent; metabolite; plant metabolite |
reynosin | [no description available] | low | 0 | 0 | organic heterotricyclic compound; sesquiterpene lactone | metabolite |
moronic acid | [no description available] | low | 0 | 0 | pentacyclic triterpenoid | anti-HIV agent; anti-HSV-1 agent; metabolite |
maltitol | [no description available] | low | 0 | 0 | alpha-D-glucoside; glycosyl alditol | laxative; metabolite; sweetening agent |
Phe-Tyr | [no description available] | low | 0 | 0 | dipeptide | metabolite |
2-acetyl-1-pyrroline | [no description available] | low | 0 | 0 | acylimine; methyl ketone; pyrroline | flavouring agent; Maillard reaction product; metabolite |
methyl indole-3-carboxylate | [no description available] | low | 0 | 0 | indoles; methyl ester | metabolite |
camalexin | [no description available] | low | 0 | 0 | 1,3-thiazoles; indole phytoalexin | metabolite |
komaroviquinone | [no description available] | low | 0 | 0 | bridged compound; lactol; p-quinones; tetracyclic diterpenoid | metabolite; trypanocidal drug |
2-hydroxycinnamic acid | [no description available] | low | 0 | 0 | 2-coumaric acid; phenols | antioxidant; metabolite |
16-epivincamine | [no description available] | low | 0 | 0 | alkaloid | metabolite |
diethyl fumarate | [no description available] | low | 0 | 0 | diester | metabolite |
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 |
1-acetyl-beta-carboline | [no description available] | low | 0 | 0 | harmala alkaloid | metabolite |
propolin c | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; tetrahydroxyflavanone | metabolite; radical scavenger |
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 |
butylidenephthalide | [no description available] | low | 0 | 0 | 2-benzofurans; gamma-lactone | EC 3.2.1.20 (alpha-glucosidase) inhibitor; hypoglycemic agent; metabolite |
malonyl coenzyme a | [no description available] | low | 0 | 0 | malonyl-CoAs | EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite |
imidazol-1-ylacetic acid | [no description available] | low | 0 | 0 | imidazolyl carboxylic acid | metabolite |
captax | [no description available] | low | 0 | 0 | aryl thiol; benzothiazoles | carcinogenic agent; metabolite |
n-acetyltryptophan | [no description available] | low | 0 | 0 | L-tryptophan derivative; N-acetyl-L-amino acid | metabolite |
cinnamoylglycine | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
n-benzoylalanine | [no description available] | low | 0 | 0 | N-acyl-L-alanine; N-benzoylalanine | metabolite |
isoferulic acid | [no description available] | low | 0 | 0 | ferulic acids | antioxidant; biomarker; metabolite |
oxypeucadanin, (r)-(+)-isomer | [no description available] | low | 0 | 0 | furanocoumarin | metabolite |
thiouracil | [no description available] | low | 0 | 0 | nucleobase analogue; thiocarbonyl compound | antithyroid drug; metabolite |
allylthiourea | [no description available] | low | 0 | 0 | thioureas | metabolite |
n-glycylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
caryophyllene oxide | [no description available] | low | 0 | 0 | epoxide | metabolite |
fumonisin b1 | [no description available] | low | 0 | 0 | diester; fumonisin; primary amino compound; triol | carcinogenic agent; metabolite |
olivetolic acid | [no description available] | low | 0 | 0 | benzoic acids; monocarboxylic acid; polyketide; resorcinols | metabolite |
Ganodermanontriol | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
dieckol | [no description available] | low | 0 | 0 | aromatic ether; oxacycle; phlorotannin | anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger |
glycylproline | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
tamoxifen n-oxide | [no description available] | low | 0 | 0 | aromatic ether; tertiary amine oxide | anti-estrogen; 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 |
galactose-6-phosphate | [no description available] | low | 0 | 0 | D-galactose 6-phosphate | metabolite |
nicotine n-glucuronide | [no description available] | low | 0 | 0 | iminium betaine; N-glycosylpyridine | metabolite |
isorhyncophylline | [no description available] | low | 0 | 0 | indolizines | metabolite |
cysteinylproline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycyllysine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
methionyltryptophan | [no description available] | low | 0 | 0 | dipeptide | metabolite |
ascorbigen | [no description available] | low | 0 | 0 | indolyl carbohydrate | metabolite |
pimeloyl-coenzyme a | [no description available] | low | 0 | 0 | omega-carboxyacyl-CoA | metabolite |
1-salicylate glucuronide | [no description available] | low | 0 | 0 | benzoic acids; beta-D-glucosiduronic acid | metabolite |
isoschaftoside | [no description available] | low | 0 | 0 | C-glycosyl compound; trihydroxyflavone | metabolite |
croomine | [no description available] | low | 0 | 0 | alkaloid | metabolite |
3-hydroxyflavanone | [no description available] | low | 0 | 0 | 3'-hydroxyflavanones; monohydroxyflavanone | metabolite |
ungeremine | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
seryl-proline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
4-hydroxy-5-methyl-3(2h)-furanone | [no description available] | low | 0 | 0 | cyclic ketone; enol; furans | metabolite |
annomontine | [no description available] | low | 0 | 0 | alkaloid; aminopyrimidine; beta-carbolines | antiparasitic agent; metabolite |
8-hydroxymanzamine a | [no description available] | low | 0 | 0 | alkaloid; beta-carbolines; isoquinolines | anti-HSV-2 agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; metabolite |
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 |
calceolarioside b | [no description available] | low | 0 | 0 | hydroxycinnamic acid | 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 |
quercetin 3-o-glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; quercetin O-glycoside | antidepressant; antioxidant; metabolite |
australifungin | [no description available] | low | 0 | 0 | carbobicyclic compound; enol; enone; secondary alcohol | antifungal agent; EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor; HIV-1 integrase inhibitor; metabolite |
catechin gallate | [no description available] | low | 0 | 0 | flavans; gallate ester; polyphenol | metabolite |
3,7-dimethoxy-5,3',4'-trihydroxyflavone | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
7,3'-dihydroxy-4'-methoxyisoflavone | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antioxidant; 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 |
vomifoliol | [no description available] | low | 0 | 0 | (6S)-vomifoliol | metabolite; phytotoxin |
feruloyltyramine | [no description available] | low | 0 | 0 | tyramines | metabolite |
luteolin-7-glucuronide | [no description available] | low | 0 | 0 | glycosyloxyflavone; luteolin O-glucuronoside; monosaccharide derivative; trihydroxyflavone | metabolite |
chrysoeriol | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; antioxidant; metabolite |
quercetin 3-o-methyl ether | [no description available] | low | 0 | 0 | monomethoxyflavone; tetrahydroxyflavone | antimicrobial agent; metabolite |
dexmedetomidine | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; metabolite |
apigetrin | [no description available] | low | 0 | 0 | beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative | antibacterial agent; metabolite; non-steroidal anti-inflammatory drug |
6-ketoprostaglandin e1 | [no description available] | low | 0 | 0 | prostaglandins E | metabolite; platelet aggregation inhibitor |
lipoxin a4 | [no description available] | low | 0 | 0 | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; metabolite |
harmine | [no description available] | low | 0 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
naringenin chalcone | [no description available] | low | 0 | 0 | chalcones; polyphenol | anti-allergic agent; anti-inflammatory agent; metabolite |
cornexistin | [no description available] | low | 0 | 0 | cyclic dicarboxylic anhydride; organic heterobicyclic compound; secondary alpha-hydroxy ketone | herbicide; metabolite |
isobavachalcone | [no description available] | low | 0 | 0 | chalcones; polyphenol | antibacterial agent; metabolite; platelet aggregation inhibitor |
daphnoretin | [no description available] | low | 0 | 0 | aromatic ether; hydroxycoumarin | antineoplastic agent; antiviral agent; metabolite |
Rhynchophylline | [no description available] | low | 0 | 0 | indolizines | metabolite |
mammeisin | [no description available] | low | 0 | 0 | neoflavonoid | metabolite |
ostruthin | [no description available] | low | 0 | 0 | terpene lactone | metabolite |
costunolide | [no description available] | low | 0 | 0 | germacranolide; heterobicyclic compound | anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite |
caryophyllene | [no description available] | low | 0 | 0 | beta-caryophyllene | fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug |
phaseic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; apo carotenoid sesquiterpenoid | metabolite |
agathisflavone | [no description available] | low | 0 | 0 | biaryl; biflavonoid; hydroxyflavone | antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite |
cupressuflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | EC 3.4.21.37 (leukocyte elastase) inhibitor; metabolite; radical scavenger |
bellidifolin | [no description available] | low | 0 | 0 | polyphenol; xanthones | EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; metabolite |
demethylbellidifolin | [no description available] | low | 0 | 0 | tetrol; xanthones | antioxidant; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; mutagen; radical scavenger |
hinokiflavone | [no description available] | low | 0 | 0 | aromatic ether; biflavonoid; hydroxyflavone | antineoplastic agent; metabolite; neuroprotective agent |
euxanthone | [no description available] | low | 0 | 0 | phenols; xanthones | metabolite; plant metabolite |
norswertianolin | [no description available] | low | 0 | 0 | beta-D-glucoside; xanthones | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
swerchirin | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | hypoglycemic agent; metabolite |
isoscutellarein | [no description available] | low | 0 | 0 | tetrahydroxyflavone | metabolite |
kaempferide | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone | antihypertensive agent; metabolite |
norwogonin | [no description available] | low | 0 | 0 | trihydroxyflavone | antioxidant; metabolite |
orientin | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone | antioxidant; metabolite |
patuletin | [no description available] | low | 0 | 0 | flavonols; monomethoxyflavone; pentahydroxyflavone | analgesic; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; metabolite |
robustaflavone | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; ring assembly | anti-HBV agent; antineoplastic agent; antioxidant; metabolite |
scutellarein | [no description available] | low | 0 | 0 | tetrahydroxyflavone | metabolite |
tricetin | [no description available] | low | 0 | 0 | pentahydroxyflavone | antineoplastic agent; metabolite |
tricin | [no description available] | low | 0 | 0 | 3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite |
astringin | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | antineoplastic agent; antioxidant; metabolite |
polydatin | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator |
epsilon-viniferin | [no description available] | low | 0 | 0 | 1-benzofurans; polyphenol; stilbenoid | metabolite |
irilone | [no description available] | low | 0 | 0 | hydroxyisoflavone; organic heterotricyclic compound; oxacycle | antineoplastic agent; immunomodulator; metabolite |
licoisoflavone a | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | metabolite |
prunetin | [no description available] | low | 0 | 0 | 7-methoxyisoflavones; hydroxyisoflavone | anti-inflammatory agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
syringetin | [no description available] | low | 0 | 0 | 3',5'-dimethoxyflavone; 3'-methoxyflavones; 7-hydroxyflavonol; dimethoxyflavone; tetrahydroxyflavone | metabolite; platelet aggregation inhibitor |
10-deoxymethynolide | [no description available] | low | 0 | 0 | macrolide | metabolite |
4',7-dihydroxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone | metabolite |
veronicastroside | [no description available] | low | 0 | 0 | disaccharide derivative; glycosyloxyflavone; neohesperidoside; trihydroxyflavone | antibacterial agent; metabolite |
quercimeritrin | [no description available] | low | 0 | 0 | beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antioxidant; metabolite |
josamycin | [no description available] | low | 0 | 0 | acetate ester; aldehyde; disaccharide derivative; glycoside; macrolide antibiotic; tertiary alcohol; tertiary amino compound | antibacterial drug; metabolite |
n,n-dimethylsphingenine | [no description available] | low | 0 | 0 | aminodiol; sphingoid; tertiary amino compound | EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite |
4-hydroxyestradiol | [no description available] | low | 0 | 0 | 4-hydroxy steroid | metabolite |
9-hydroxy-10,12-octadecadienoic acid | [no description available] | low | 0 | 0 | HODE; octadecadienoic acid | human metabolite; metabolite; mouse metabolite; plant metabolite |
9-oxo-10,12-octadecadienoic acid | [no description available] | low | 0 | 0 | enone; oxooctadecadienoic acid | metabolite |
13-oxo-9,11-octadecadienoic acid | [no description available] | low | 0 | 0 | 13-oxo-9,11-octadecadienoic acid; oxo fatty acid | metabolite |
13,14-dihydro-15-ketoprostaglandin d2 | [no description available] | low | 0 | 0 | prostaglandins D | metabolite |
15-keto-13,14-dihydroprostaglandin f2alpha | [no description available] | low | 0 | 0 | ketone; prostaglandins Falpha | metabolite |
2,3-dinor-6-ketoprostaglandin f1alpha | [no description available] | low | 0 | 0 | 4-oxo monocarboxylic acid; prostanoid; secondary alcohol | metabolite |
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer | [no description available] | low | 0 | 0 | 3beta-sterol | anti-HSV-1 agent; antifungal agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; metabolite |
calcifediol | [no description available] | low | 0 | 0 | D3 vitamins; diol; hydroxycalciol | bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical |
oleyl alcohol | [no description available] | low | 0 | 0 | fatty alcohol 18:1; long-chain primary fatty alcohol | metabolite; nonionic surfactant |
fortimicin a | [no description available] | low | 0 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic; diol; monocarboxylic acid amide; primary amino compound | antibacterial agent; metabolite |
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 |
6,7,4'-trihydroxyisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | anti-inflammatory agent; antimutagen; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite; PPARalpha agonist; PPARgamma agonist |
15-deoxy-delta(12,14)-prostaglandin j2 | [no description available] | low | 0 | 0 | prostaglandins J | electrophilic reagent; insulin-sensitizing drug; metabolite |
ciguatoxins | [no description available] | low | 0 | 0 | ciguatoxin | metabolite |
12-hydroxy-5,8,10-heptadecatrienoic acid | [no description available] | low | 0 | 0 | hydroxy polyunsaturated fatty acid; long-chain fatty acid; trienoic fatty acid | metabolite |
clausine e | [no description available] | low | 0 | 0 | carbazoles | metabolite |
ethyl caffeate | [no description available] | low | 0 | 0 | alkyl caffeate ester; ethyl ester; hydroxycinnamic acid | anti-inflammatory agent; antineoplastic agent; metabolite |
heptaphylline | [no description available] | low | 0 | 0 | carbazoles | metabolite |
pellitorine | [no description available] | low | 0 | 0 | fatty amide | metabolite |
isorhamnetin-3-o-galactoside | [no description available] | low | 0 | 0 | beta-D-galactoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone | metabolite |
kaempferol-3-o-rutinoside | [no description available] | low | 0 | 0 | disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone | metabolite; plant metabolite; radical scavenger |
ligustilide | [no description available] | low | 0 | 0 | butenolide | metabolite |
7,4'-dihydroxy-3'-methoxyisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones; methoxyisoflavone | antiplasmodial drug; metabolite |
sappanchalcone | [no description available] | low | 0 | 0 | catechols; chalcones; monomethoxybenzene | anti-allergic agent; anti-inflammatory agent; antioxidant; metabolite |
methyl brevifolincarboxylate | [no description available] | low | 0 | 0 | cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols | EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent |
3-deoxysappanchalcone | [no description available] | low | 0 | 0 | chalcones; monomethoxybenzene; phenols | metabolite |
nostocarboline | [no description available] | low | 0 | 0 | alkaloid; beta-carbolines; organic cation; organochlorine compound | antimalarial; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite |
ergosterol-5,8-peroxide | [no description available] | low | 0 | 0 | 3beta-sterol; ergostanoid; organic peroxide; phytosterols | antimycobacterial drug; antineoplastic agent; metabolite; trypanocidal drug |
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
macluraxanthone b | [no description available] | low | 0 | 0 | phenols; xanthones | anti-HIV agent; antineoplastic agent; metabolite |
alternariol | [no description available] | low | 0 | 0 | benzochromenone; phenols | EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin |
cis-3-hexenyl acetate | [no description available] | low | 0 | 0 | acetate ester; olefinic compound | metabolite |
pipercallosidine | [no description available] | low | 0 | 0 | alkaloid; benzodioxoles; enamide; secondary carboxamide | apoptosis inducer; metabolite; plant metabolite |
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
7-hydroxyisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | EC 1.14.14.14 (aromatase) inhibitor; metabolite |
flazin | [no description available] | low | 0 | 0 | harmala alkaloid | metabolite |
11-hydroxynoracronycine | [no description available] | low | 0 | 0 | acridines | 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 |
salutaridine | [no description available] | low | 0 | 0 | morphinane alkaloid | anti-HBV agent; metabolite |
artocarpin lectin | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; metabolite |
fumarates | [no description available] | low | 0 | 0 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
1,7-dihydroxy-4-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | metabolite; plant metabolite |
demethoxycurcumin | [no description available] | low | 0 | 0 | beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antineoplastic agent; metabolite |
bergamottin | [no description available] | low | 0 | 0 | furanocoumarin | metabolite |
alanyl-alanyl-alanine | [no description available] | low | 0 | 0 | tripeptide | metabolite |
24-ethyl-4-cholesten-3-one | [no description available] | low | 0 | 0 | C29-steroid; steroid | metabolite |
myricetin 3-o-glucuronide | [no description available] | low | 0 | 0 | monosaccharide derivative; myricetin O-glucuronide; pentahydroxyflavone | metabolite |
phenylalanylalanine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
alpinumisoflavone | [no description available] | low | 0 | 0 | isoflavanones | metabolite |
alpha-aspartylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
arglabin | [no description available] | low | 0 | 0 | epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone | antineoplastic agent; metabolite |
ap 10 | [no description available] | low | 0 | 0 | diterpene lactone | metabolite |
quercetin 7-rhamnoside | [no description available] | low | 0 | 0 | alpha-L-rhamnoside; flavonols; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | metabolite |
albonoursin | [no description available] | low | 0 | 0 | 2,5-diketopiperazines | metabolite |
oroidin | [no description available] | low | 0 | 0 | pyrroles; secondary carboxamide | metabolite |
apratoxin a | [no description available] | low | 0 | 0 | 1,3-thiazoles; apratoxin | antineoplastic agent; metabolite |
(-)-catechin-3-O-gallate | [no description available] | low | 0 | 0 | flavans; gallate ester; polyphenol | metabolite |
aspartyllysine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
arginyllysine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
hygromycin a | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
latrunculin b | [no description available] | low | 0 | 0 | cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone | actin polymerisation inhibitor; metabolite; toxin |
falcarindiol | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
dehydroergosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | biomarker; metabolite |
n-oleoylglycine | [no description available] | low | 0 | 0 | fatty amide; N-acylglycine 18:1 | metabolite |
rhizoxin | [no description available] | low | 0 | 0 | 1,3-oxazoles; epoxide; macrolide antibiotic | antimitotic; antineoplastic agent; metabolite |
manoalide | [no description available] | low | 0 | 0 | butenolide; lactol; sesterterpenoid | EC 3.1.1.4 (phospholipase A2) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite |
concanamycin a | [no description available] | low | 0 | 0 | carbamate ester; concanamycin | antifungal agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; metabolite |
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid | [no description available] | low | 0 | 0 | enoate ester; methyl ester; monocarboxylic acid amide | metabolite |
thunberginol f | [no description available] | low | 0 | 0 | catechols; gamma-lactone; isobenzofuranone | metabolite; plant metabolite |
pyracrenic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
eicosa-11,14-dienoic acid, (z,z)-isomer | [no description available] | low | 0 | 0 | icosadienoic acid | metabolite |
yuanhuadine | [no description available] | low | 0 | 0 | diterpenoid | metabolite |
tiglylglycine | [no description available] | low | 0 | 0 | N-acylglycine | metabolite |
rhodiocyanoside a | [no description available] | low | 0 | 0 | aliphatic nitrile; beta-D-glucoside; cyanogenic glycoside; monosaccharide derivative | anti-allergic agent; metabolite |
(2E,4E)-N-isobutyl-2,4-dodecadienamide | [no description available] | low | 0 | 0 | fatty amide | metabolite |
mycothiazole | [no description available] | low | 0 | 0 | thiazoles | metabolite |
13-oxo-9,11-octadecadienoic acid | [no description available] | low | 0 | 0 | 13-oxo-9,11-octadecadienoic acid | metabolite; mouse metabolite |
linderalactone | [no description available] | low | 0 | 0 | butenolide | metabolite |
pros-methylimidazoleacetic acid | [no description available] | low | 0 | 0 | imidazolyl carboxylic acid | metabolite |
cellobionic acid | [no description available] | low | 0 | 0 | carbohydrate acid; disaccharide | metabolite |
pseudopteroxazole | [no description available] | low | 0 | 0 | tetralins | metabolite |
sophoraflavanone a | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone | antibacterial agent; antineoplastic agent; metabolite |
panduratin a | [no description available] | low | 0 | 0 | diarylheptanoid | metabolite |
stigmasterol 3-o-beta-d-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; phytosterols; steroid saponin | metabolite |
17-hydroxyjolkinolide b | [no description available] | low | 0 | 0 | diterpene lactone | metabolite |
sq-23377 | [no description available] | low | 0 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
corosolic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
cyclo(prolyl-valyl) | [no description available] | low | 0 | 0 | piperazinone | metabolite |
phenylalanylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
leucyl-phenylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glutamylalanine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glutaminyl-glycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
methionylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
valylleucine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
phenylalanyl-valine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
cyclo(glycyltryptophyl) | [no description available] | low | 0 | 0 | indoles | metabolite |
alanylglycine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
valyltyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
alpha-glutamyltryptophan | [no description available] | low | 0 | 0 | dipeptide | metabolite |
lysylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
methionylglutamic acid | [no description available] | low | 0 | 0 | dipeptide | metabolite |
seryl-histidine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
arginyl-glutamine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
phenylalanylproline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
lysylglycine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
glycylhistidine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
kopsinine | [no description available] | low | 0 | 0 | indole alkaloid | metabolite |
cyclo(leucyl-phenylalanyl) | [no description available] | low | 0 | 0 | 2,5-diketopiperazines | metabolite |
prolylisoleucine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
isoleucyl-tyrosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
prolyl-serine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
grayanotoxin i | [no description available] | low | 0 | 0 | acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid | antihypertensive agent; metabolite; neuromuscular agent; phytotoxin |
19-norandrosterone | [no description available] | low | 0 | 0 | 17-oxo steroid | metabolite |
s-allylcysteine | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine | antineoplastic agent; metabolite |
oleandrigenin | [no description available] | low | 0 | 0 | 14beta-hydroxy steroid; 3beta-hydroxy steroid; steroid ester | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite |
valyl-prolyl-proline | [no description available] | low | 0 | 0 | tripeptide | metabolite |
prolylvaline | [no description available] | low | 0 | 0 | dipeptide | metabolite |
palbinone | [no description available] | low | 0 | 0 | 16-oxo steroid | metabolite |
pseurotin | [no description available] | low | 0 | 0 | azaspiro compound; lactam; oxaspiro compound | metabolite |
xenovulene a | [no description available] | low | 0 | 0 | cyclic ether; enone; organic heterotetracyclic compound; sesquiterpenoid | GABA antagonist; metabolite |
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 |
LL-Z1640-1 | [no description available] | low | 0 | 0 | macrolide; resorcinols | metabolite |
9-methoxycanthin-6-one | [no description available] | low | 0 | 0 | aromatic ether; indole alkaloid; organic heterotetracyclic compound | antineoplastic agent; antiplasmodial drug; metabolite |
n-acetylcarnosine | [no description available] | low | 0 | 0 | dipeptide | metabolite |
cholest-5-en-3-one | [no description available] | low | 0 | 0 | 3-oxo-Delta(5)-steroid; cholestanoid | metabolite |
kaempferol 3-O-beta-L-glucopyranoside | [no description available] | low | 0 | 0 | beta-L-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone | metabolite |
rubraxanthone | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | antibacterial agent; antineoplastic agent; metabolite |
ubiquinol | [no description available] | low | 0 | 0 | polyprenylhydroquinone; ubiquinol | biomarker; metabolite |
landomycin a | [no description available] | low | 0 | 0 | oligosaccharide | metabolite |
ancistroealaine a | [no description available] | low | 0 | 0 | aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes | antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug |
cerberin | [no description available] | low | 0 | 0 | acetate ester; cardenolide glycoside; monosaccharide derivative | antineoplastic agent; metabolite |
actein | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
araloside a | [no description available] | low | 0 | 0 | triterpenoid saponin | metabolite |
ageladine a | [no description available] | low | 0 | 0 | alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite |
corynoxine b | [no description available] | low | 0 | 0 | indolizines | 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 |
delphinidin 3-sambubioside | [no description available] | low | 0 | 0 | anthocyanidin 3-O-beta-D-sambubioside | apoptosis inducer; metabolite |
nodosin | [no description available] | low | 0 | 0 | delta-lactone | metabolite |
protylonolide | [no description available] | low | 0 | 0 | diol; enone; macrolide | 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 |
nymphaeol c | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; tetrahydroxyflavanone | metabolite; radical scavenger |
thonningianin a | [no description available] | low | 0 | 0 | tannin | metabolite |
cephalostatin i | [no description available] | low | 0 | 0 | oxo steroid | metabolite |
papyriflavonol a | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; flavonols; pentahydroxyflavone | EC 1.14.18.1 (tyrosinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; metabolite |
lactonamycin | [no description available] | low | 0 | 0 | gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative | antibacterial agent; antimicrobial agent; metabolite |
myrsinoic acid b | [no description available] | low | 0 | 0 | 1-benzofurans; monocarboxylic acid | anti-inflammatory agent; EC 4.4.1.11 (methionine gamma-lyase) inhibitor; metabolite |
betulone | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
eckstolonol | [no description available] | low | 0 | 0 | organic heteropentacyclic compound; oxacycle; phlorotannin | metabolite; radical scavenger |
manassantin b | [no description available] | low | 0 | 0 | benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol | antineoplastic agent; metabolite |
gitaloxin | [no description available] | low | 0 | 0 | cardenolide glycoside | metabolite |
paeonilide | [no description available] | low | 0 | 0 | benzoate ester | metabolite |
dihydroxanthohumol | [no description available] | low | 0 | 0 | aromatic ether; dihydrochalcones; polyphenol | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
corynoxine | [no description available] | low | 0 | 0 | indolizines | metabolite |
7-phloroeckol | [no description available] | low | 0 | 0 | aromatic ether; phlorotannin | antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite |
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside; dimethoxybenzene; lignan; monosaccharide derivative; polyphenol; primary alcohol; tetralins | antibacterial agent; antifungal agent; metabolite |
Sphaeropsidin C | [no description available] | low | 0 | 0 | tricyclic diterpenoid | metabolite |
kelampayoside a | [no description available] | low | 0 | 0 | glycoside | metabolite |
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 |
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 |
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 |
aerothionin | [no description available] | low | 0 | 0 | isoxazoles | metabolite |
artemisic acid | [no description available] | low | 0 | 0 | carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid | metabolite |
26-deoxyactein | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
5-formylcytosine | [no description available] | low | 0 | 0 | aminopyrimidine; heteroarenecarbaldehyde; nucleobase analogue; pyrimidone | metabolite |
migrastatin | [no description available] | low | 0 | 0 | ether; macrolide antibiotic; piperidones; secondary alcohol | antineoplastic agent; metabolite |
Lyngbic acid | [no description available] | low | 0 | 0 | long-chain fatty acid | metabolite |
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 |
bielschowskysin | [no description available] | low | 0 | 0 | acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound | antimalarial; antineoplastic agent; metabolite |
procyanidin b1 | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; EC 3.4.21.5 (thrombin) inhibitor; metabolite |
cyclo(tyrosyl-tyrosyl) | [no description available] | low | 0 | 0 | cyclo(tyrosyl-tyrosyl) | metabolite |
spiculoic acid a | [no description available] | low | 0 | 0 | carbobicyclic compound; cyclic ketone; oxo monocarboxylic acid; styrenes | antineoplastic agent; metabolite |
myrocin a | [no description available] | low | 0 | 0 | tertiary alcohol | metabolite |
3'-o-methylepicatechin | [no description available] | low | 0 | 0 | catechin | metabolite |
episilvestrol | [no description available] | low | 0 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
protopanaxatriol | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; 6alpha-hydroxy steroid; sapogenin; tetracyclic triterpenoid | metabolite |
laurinterol | [no description available] | low | 0 | 0 | organobromine compound; phenols; sesquiterpenoid | antibacterial agent; apoptosis inducer; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite |
Pseudopterosin G-J aglycone | [no description available] | low | 0 | 0 | diterpenoid | metabolite |
ceratamine a | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine | antimitotic; metabolite |
liphagal | [no description available] | low | 0 | 0 | aldehyde; cyclic ether; meroterpenoid; organic heterotetracyclic compound; polyphenol | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; metabolite |
pulsatilla saponin d | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
diversonol | [no description available] | low | 0 | 0 | phenols; tertiary alcohol | antibacterial agent; metabolite |
neotuberostemonine | [no description available] | low | 0 | 0 | alkaloid | metabolite |
drymaritin | [no description available] | low | 0 | 0 | enol ether; enone; indole alkaloid; organic heterotetracyclic compound | anti-HIV agent; metabolite |
lyoniresinol | [no description available] | low | 0 | 0 | dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins | antineoplastic agent; metabolite |
silvestrol | [no description available] | low | 0 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
ginsenoside ro | [no description available] | low | 0 | 0 | triterpenoid saponin | metabolite |
diosgenin glucoside | [no description available] | low | 0 | 0 | hexacyclic triterpenoid; monosaccharide derivative; spiroketal; sterol 3-beta-D-glucoside | metabolite |
pyripyropene a | [no description available] | low | 0 | 0 | organic heterotetracyclic compound; sesquiterpenoid | acyl-CoA:cholesterol acyltransferase 2 inhibitor; metabolite |
3-epioleanolic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
leucylproline | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | metabolite |
R-(-)-actinodaphnine | [no description available] | low | 0 | 0 | aporphine alkaloid | metabolite |
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 |
methylamphotericin b | [no description available] | low | 0 | 0 | macrolide; methyl ester; monosaccharide derivative | antifungal agent; antiinfective agent; metabolite |
2'-methoxykurarinone | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; dihydroxyflavanone; dimethoxyflavanone | antineoplastic agent; metabolite |
verproside | [no description available] | low | 0 | 0 | glycoside | metabolite |
verminoside | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
minecoside | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
(R)-(+)-6',7'-dihydroxybergamottin | [no description available] | low | 0 | 0 | furanocoumarin | metabolite |
lapidilectine b | [no description available] | low | 0 | 0 | indolyl carboxylic acid | metabolite |
batzelladine a | [no description available] | low | 0 | 0 | alkaloid; carboxylic ester; guanidines; organic heterotricyclic compound; pyrrolopyrimidine; triazaacenaphthylene | anti-HIV-1 agent; metabolite |
alloin | [no description available] | low | 0 | 0 | anthracenes; C-glycosyl compound; cyclic ketone; phenols | laxative; metabolite |
longipinene | [no description available] | low | 0 | 0 | alpha-longipinene | metabolite |
parkeol | [no description available] | low | 0 | 0 | 3beta-hydroxy-4,4-dimethylsteroid; 3beta-sterol; tetracyclic triterpenoid | metabolite |
rutundic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
a-factor (streptomyces) | [no description available] | low | 0 | 0 | butan-4-olide; primary alcohol | metabolite |
taraxasteryl acetate | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
chikusetsu saponin iva | [no description available] | low | 0 | 0 | triterpenoid saponin | metabolite |
xestoaminol c | [no description available] | low | 0 | 0 | amino alcohol; sphingoid | metabolite |
malyngamide A | [no description available] | low | 0 | 0 | dicarboximide | metabolite |
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 |
friedelane | [no description available] | low | 0 | 0 | triterpene | metabolite |
shamixanthone | [no description available] | low | 0 | 0 | cyclic ketone; phenols; pyranoxanthene | metabolite |
17,18-epoxy-5,8,11,14-eicosatetraenoic acid | [no description available] | low | 0 | 0 | EpETE | metabolite |
chaetominine | [no description available] | low | 0 | 0 | indole alkaloid; lactam; organic heterotetracyclic compound; quinazolines | metabolite |
schweinfurthin g | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | antineoplastic agent; metabolite |
salmon calcitonin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; peptide hormone; polypeptide | bone density conservation agent; 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 |
neuroprotectin a | [no description available] | low | 0 | 0 | cyclic ether; heterodetic cyclic peptide; indoles; organochlorine compound; polyphenol | HIV-1 integrase inhibitor; metabolite |
alx-0600 | [no description available] | low | 0 | 0 | polypeptide | antioxidant; glucagon-like peptide-2 receptor agonist; metabolite; protective agent |
schweinfurthin f | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | metabolite |
antrocamphin a | [no description available] | low | 0 | 0 | methoxybenzenes | anti-inflammatory agent; metabolite |
respirantin | [no description available] | low | 0 | 0 | benzamides; cyclodepsipeptide; formamides; phenols | antimicrobial agent; antineoplastic agent; metabolite |
streptobiosamine | [no description available] | low | 0 | 0 | amino disaccharide | metabolite |
interiotherin b | [no description available] | low | 0 | 0 | aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle | anti-HIV agent; metabolite |
succinyladenosine | [no description available] | low | 0 | 0 | adenosines; amino dicarboxylic acid; L-aspartic acid derivative | metabolite |
6-tuliposide a | [no description available] | low | 0 | 0 | 6-O-acyl-D-glucose; homoallylic alcohol | allergen; metabolite |
glycochenodeoxycholate-3-sulfate | [no description available] | low | 0 | 0 | 7alpha-hydroxy steroid; bile acid glycine conjugate; steroid sulfate | metabolite |
wewakazole | [no description available] | low | 0 | 0 | cyclic peptide | metabolite |
spongia-13(16),14-dien-19-oic acid | [no description available] | low | 0 | 0 | cyclic ether; monocarboxylic acid; tetracyclic diterpenoid | androgen antagonist; metabolite |
Icariside E4 | [no description available] | low | 0 | 0 | benzofurans | 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 |
dihydroagarofuran | [no description available] | low | 0 | 0 | bridged compound; cyclic ether; eudesmane sesquiterpenoid; organic heterotricyclic compound | metabolite |
23-epi-26-deoxyactein | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
23-hydroxybetulinic acid | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene | [no description available] | low | 0 | 0 | diterpenoid | 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 |
2-acetamidoglucal | [no description available] | low | 0 | 0 | acetamides; glycal derivative | metabolite |
diorcinol | [no description available] | low | 0 | 0 | aromatic ether; phenols | fungal metabolite; marine metabolite; metabolite |
caribenol a | [no description available] | low | 0 | 0 | organic heterotetracyclic compound; terpene lactone; tertiary alcohol | antimalarial; antitubercular agent; metabolite |
halisulfate 1 | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
6-O-feruloylcatalpol | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
grassypeptolide | [no description available] | low | 0 | 0 | cyclodepsipeptide; macrocycle | antineoplastic agent; metabolite |
essramycin | [no description available] | low | 0 | 0 | triazolopyrimidines | metabolite |
ainsliadimer a | [no description available] | low | 0 | 0 | sesquiterpene lactone; spiro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
salvileucalin b | [no description available] | low | 0 | 0 | bridged compound; diterpenoid; furans; gamma-lactone | antineoplastic agent; metabolite |
ciliatamide a | [no description available] | low | 0 | 0 | caprolactams; lipopeptide | antileishmanial agent; metabolite |
etnangien | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; macrolide antibiotic | antibacterial agent; metabolite |
latrunculol a | [no description available] | low | 0 | 0 | macrolide | metabolite |
N-trans-sinapoyltyramine | [no description available] | low | 0 | 0 | hydroxycinnamic acid | metabolite |
lycojapodine a | [no description available] | low | 0 | 0 | alkaloid; bridged compound; cyclic ketone; lactone; organic heterotetracyclic compound | anti-HIV-1 agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
epi-maslinic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; metabolite |
eoxin c4 | [no description available] | low | 0 | 0 | eoxin; leukotriene | metabolite |
brartemicin | [no description available] | low | 0 | 0 | benzoate ester; glycosyl glycoside derivative; resorcinols | antimicrobial agent; metabolite |
Majusculamide AB | [no description available] | low | 0 | 0 | amino acid amide | metabolite |
7,8-dihydroxyflavanone | [no description available] | low | 0 | 0 | dihydroxyflavanone | antineoplastic agent; metabolite |
antcin a | [no description available] | low | 0 | 0 | ergostanoid | metabolite |
integric acid | [no description available] | low | 0 | 0 | carboxylic ester; cyclic ketone; dioxo monocarboxylic acid; enal; enone; eremophilane sesquiterpenoid | HIV-1 integrase inhibitor; metabolite |
vanilloloside | [no description available] | low | 0 | 0 | glycoside | metabolite |
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 |
dicranin | [no description available] | low | 0 | 0 | acetylenic fatty acid; long-chain fatty acid; straight-chain fatty acid; trienoic fatty acid | antibacterial agent; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; metabolite |
leachianone a | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antimalarial; antineoplastic agent; metabolite |
hordatine a | [no description available] | low | 0 | 0 | aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols | adrenergic antagonist; metabolite |
englerin a | [no description available] | low | 0 | 0 | cinnamate ester; glycolate ester; guaiane sesquiterpenoid | antineoplastic agent; metabolite |
monanchocidin | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
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 |
sphaeropsidin a | [no description available] | low | 0 | 0 | gamma-lactone | metabolite |
gardenoside | [no description available] | low | 0 | 0 | beta-D-glucoside; cyclopentapyran; enoate ester; methyl ester; monosaccharide derivative; tertiary alcohol | metabolite |
landomycin d | [no description available] | low | 0 | 0 | anthraquinone | metabolite |
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 |
antcin k | [no description available] | low | 0 | 0 | bile acid | 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 |
shizukaol B | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
shizukaol f | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
calicheamicin gamma(1)i | [no description available] | low | 0 | 0 | calicheamicin; enediyne antibiotic; organoiodine compound | antineoplastic agent; metabolite |
staphyloxanthin | [no description available] | low | 0 | 0 | apo carotenoid triterpenoid; D-aldohexose derivative; fatty acid ester; triol; xanthophyll | antioxidant; biological pigment; metabolite; virulence factor |
sm 1 peptide | [no description available] | low | 0 | 0 | acetate ester; ergot alkaloid | metabolite |
mycocyclosin | [no description available] | low | 0 | 0 | 2,5-diketopiperazines; organic heterotetracyclic compound; polyphenol | metabolite |
callipeltin a | [no description available] | low | 0 | 0 | cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols | anti-HIV-1 agent; antifungal agent; metabolite |
vinylamycin | [no description available] | low | 0 | 0 | cyclodepsipeptide; macrocycle; primary alcohol | antibacterial agent; antimicrobial agent; metabolite |
promegestone | [no description available] | low | 0 | 0 | terpene lactone | metabolite |
lancifodilactone g | [no description available] | low | 0 | 0 | cyclic ether; diol; enol; gamma-lactone; oxaspiro compound; triterpenoid | anti-HIV agent; metabolite |
rediocide a | [no description available] | low | 0 | 0 | diterpenoid; epoxide; ortho ester; terpene lactone | insecticide; metabolite |
lasiokaurin | [no description available] | low | 0 | 0 | kaurane diterpenoid | metabolite |
longikaurin a | [no description available] | low | 0 | 0 | kaurane diterpenoid | metabolite |
ponicidin | [no description available] | low | 0 | 0 | dioxanes | metabolite |
(Z)-6,6',7,3'a-Diligustilide | [no description available] | low | 0 | 0 | butenolide | metabolite |
suvanine | [no description available] | low | 0 | 0 | organic molecular entity | metabolite |
shizukaol d | [no description available] | low | 0 | 0 | triterpenoid | metabolite |
thailandepsin a | [no description available] | low | 0 | 0 | cyclodepsipeptide | metabolite |
nordidemnin b | [no description available] | low | 0 | 0 | didemnin | metabolite |
4-formylaminooxyvinylglycine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | metabolite |
platycoside e | [no description available] | low | 0 | 0 | triterpenoid saponin | metabolite |
leuconoxine | [no description available] | low | 0 | 0 | alkaloid | metabolite |
epidermin | [no description available] | low | 0 | 0 | macrocycle; type A lantibiotic | antibacterial agent; metabolite |
surfactin A | [no description available] | low | 0 | 0 | cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone | antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; surfactant |
myriaporone 3 | [no description available] | low | 0 | 0 | beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol | antineoplastic agent; metabolite |
avenacoside b | [no description available] | low | 0 | 0 | beta-D-glucoside; hexacyclic triterpenoid; spiroketal; steroid saponin; tetrasaccharide derivative | metabolite |
3-methylglutarylcarnitine | [no description available] | low | 0 | 0 | O-methylglutarylcarnitine | metabolite |
pivaloylcarnitine | [no description available] | low | 0 | 0 | C5-acylcarnitine | metabolite |
levoleucovorin | [no description available] | low | 0 | 0 | 5-formyltetrahydrofolic acid | antineoplastic agent; metabolite |
7,8-dihydroneopterin | [no description available] | low | 0 | 0 | dihydropterin; neopterins | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
guanosine monophosphate | [no description available] | low | 0 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | biomarker; Escherichia coli metabolite; metabolite; mouse metabolite |
2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine | [no description available] | low | 0 | 0 | methyl ketone; pyrimidodiazepine | metabolite |
dyspropterin | [no description available] | low | 0 | 0 | biopterins; tetrahydropterin | human metabolite; metabolite; mouse metabolite |
2'-o-methylguanosine | [no description available] | low | 0 | 0 | methylguanosine | metabolite |
allopurinol riboside | [no description available] | low | 0 | 0 | nucleoside analogue | metabolite |
norclozapine | [no description available] | low | 0 | 0 | dibenzodiazepine; organochlorine compound; piperazines | delta-opioid receptor agonist; metabolite; serotonergic antagonist |
7-methylguanosine | [no description available] | low | 0 | 0 | methylguanosine; organic cation | metabolite |
3'-o-methylguanosine | [no description available] | low | 0 | 0 | methylguanosine | metabolite |
primapterin | [no description available] | low | 0 | 0 | biopterins | metabolite |
7-methylinosine | [no description available] | low | 0 | 0 | inosines; organic cation | metabolite |
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 |
hydroquinidine | [no description available] | low | 0 | 0 | cinchona alkaloid | |
6'-hydroxycinchonidine | [no description available] | low | 0 | 0 | cinchona alkaloid | |
epicinchonine | [no description available] | low | 0 | 0 | cinchona alkaloid | |