| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| damnacanthal | [no description available] | medium | 1 | 0 | aldehyde;
monohydroxyanthraquinone | |
| danthron | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | apoptosis inducer;
plant metabolite |
| emodin | [no description available] | medium | 2 | 0 | trihydroxyanthraquinone | antineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor |
| juglone | [no description available] | high | 13 | 0 | hydroxy-1,4-naphthoquinone | geroprotector;
herbicide;
reactive oxygen species generator |
| vitamin k 3 | [no description available] | medium | 8 | 0 | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical |
| 1,2,5,8-tetrahydroxy anthraquinone | [no description available] | medium | 1 | 0 | tetrahydroxyanthraquinone | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| alizarin | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | chromophore;
dye;
plant metabolite |
| purpurin | [no description available] | medium | 1 | 0 | trihydroxyanthraquinone | biological pigment;
histological dye;
plant metabolite |
| 1,4-dihydroxyanthraquinone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | dye |
| 2,6-dihydroxyanthraquinone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | antimutagen;
plant metabolite |
| anthrarufin | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | |
| 1,4-naphthoquinone | [no description available] | medium | 12 | 0 | 1,4-naphthoquinones | |
| 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 |
| onychine | [no description available] | medium | 1 | 0 | | |
| naphtho(2,3-b)furan-4,9-dione | [no description available] | medium | 1 | 0 | | |
| sennoside B | [no description available] | medium | 1 | 0 | oxo dicarboxylic acid;
sennosides | |
| benzo(g)isoquinoline-5,10-dione | [no description available] | medium | 1 | 0 | | |
| cleistopholine | [no description available] | medium | 1 | 0 | | |
| shikonin | [no description available] | medium | 8 | 0 | hydroxy-1,4-naphthoquinone | |
| vitamin k 1 | [no description available] | medium | 1 | 0 | phylloquinones;
vitamin K | cofactor;
human metabolite;
plant metabolite |
| 2-acetylfuranonaphthoquinone | [no description available] | medium | 1 | 0 | | |
| pyrogallol | [no description available] | medium | 1 | 0 | benzenetriol;
phenolic donor | plant metabolite |
| anthralin | [no description available] | medium | 1 | 0 | anthracenes | antipsoriatic |
| hypericin | [no description available] | medium | 1 | 0 | | |
| anthrone | [no description available] | medium | 1 | 0 | anthracenone | radical scavenger |
| anthracene | [no description available] | medium | 1 | 0 | acene;
anthracenes;
ortho-fused tricyclic hydrocarbon | |
| 2,2'-Dihydroxybenzophenone | [no description available] | medium | 1 | 0 | benzophenones | |
| rhein-9-anthrone | [no description available] | medium | 1 | 0 | anthracenes | |
| emodin anthrone | [no description available] | medium | 1 | 0 | anthracenone;
phenols | fungal metabolite |
| aloe emodin anthrone | [no description available] | medium | 1 | 0 | anthracenes | |
| alloin | [no description available] | medium | 1 | 0 | diastereoisomeric mixture | EC 1.14.18.1 (tyrosinase) inhibitor;
laxative |
| plumbagin | [no description available] | high | 7 | 0 | hydroxy-1,4-naphthoquinone;
phenols | anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite |
| alkannin | [no description available] | medium | 5 | 0 | hydroxy-1,4-naphthoquinone | |
| miconazole | [no description available] | medium | 3 | 0 | dichlorobenzene;
ether;
imidazoles | |
| methylnaphthazarin | [no description available] | medium | 4 | 0 | | |
| amphotericin b | [no description available] | medium | 3 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite |
| gentamicin sulfate | [no description available] | medium | 3 | 0 | | |
| nystatin a1 | [no description available] | medium | 3 | 0 | nystatins | |
| fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug | environmental contaminant;
P450 inhibitor;
xenobiotic |
| kanamycin a | [no description available] | medium | 1 | 0 | kanamycins | bacterial metabolite |
| 2,6-dichloroindophenol | [no description available] | medium | 1 | 0 | dichlorobenzene;
quinone imine | |
| quinone | [no description available] | medium | 3 | 0 | 1,4-benzoquinones | cofactor;
human xenobiotic metabolite;
mouse metabolite |
| 9,10-anthraquinone | [no description available] | medium | 2 | 0 | anthraquinone | |
| paclitaxel | [no description available] | medium | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
| lawsone | [no description available] | medium | 5 | 0 | | |
| rhein | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | |
| aloe emodin | [no description available] | medium | 1 | 0 | aromatic primary alcohol;
dihydroxyanthraquinone | antineoplastic agent;
plant metabolite |
| chrysophanic acid | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent;
antiviral agent;
plant metabolite |
| physcione | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite |
| streptomycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
antibiotic fungicide;
streptomycins | antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor |
| duroquinone | [no description available] | medium | 2 | 0 | 1,4-benzoquinones | |
| alizarin red s | [no description available] | medium | 1 | 0 | organic sodium salt;
organosulfonate salt | histological dye |
| phenylbenzoquinone | [no description available] | medium | 1 | 0 | | |
| thymoquinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | adjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite |
| 2-methyl-1,4-benzoquinone | [no description available] | medium | 1 | 0 | | |
| 2,5-dichlorobenzoquinone | [no description available] | medium | 1 | 0 | | |
| 2,6-dimethyl-1,4-benzoquinone | [no description available] | medium | 1 | 0 | | |
| 2,6-dimethoxy-1,4-benzoquinone | [no description available] | medium | 1 | 0 | | |
| 2-chloro-1,4-benzoquinone | [no description available] | medium | 1 | 0 | | |
| alkannin | [no description available] | medium | 1 | 0 | naphthoquinone | |
| dichlone | [no description available] | medium | 1 | 0 | | |
| 2-methoxy-1,4-naphthoquinone | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones;
enol ether | antimicrobial agent;
metabolite;
plant metabolite |
| 5-methoxypsoralen | [no description available] | medium | 1 | 0 | 5-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens | hepatoprotective agent;
plant metabolite |
| khellin | [no description available] | medium | 1 | 0 | furanochromone;
organic heterotricyclic compound;
oxacycle | anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent |
| methoxsalen | [no description available] | medium | 1 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
| ficusin | [no description available] | medium | 1 | 0 | psoralens | plant metabolite |
| imperatorin | [no description available] | medium | 1 | 0 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite |
| osthol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent;
coumarins | metabolite |
| angelicin | [no description available] | medium | 1 | 0 | furanocoumarin | |
| alpha-naphthoflavone | [no description available] | medium | 1 | 0 | extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound | aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor |
| Berberine chloride (TN) | [no description available] | medium | 1 | 0 | organic molecular entity | |
| oxypeucadanin, (s)-(-)-isomer | [no description available] | medium | 1 | 0 | epoxide;
furanocoumarin;
lactone | plant metabolite |
| isopimpinellin | [no description available] | medium | 1 | 0 | psoralens | |
| phellopterin | [no description available] | medium | 1 | 0 | psoralens | |
| sphondin | [no description available] | medium | 1 | 0 | furanocoumarin | |
| 5-hydroxy-3',4',6,7-tetramethoxyflavone | [no description available] | medium | 1 | 0 | | |
| withaferin a | [no description available] | medium | 1 | 0 | 27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide | antineoplastic agent;
apoptosis inducer |
| piperine | [no description available] | medium | 1 | 0 | benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide | food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite |
| pongamol | [no description available] | medium | 1 | 0 | | |
| 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 |
| hispidulin | [no description available] | medium | 1 | 0 | monomethoxyflavone;
trihydroxyflavone | anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite |
| beta-lapachone | [no description available] | medium | 2 | 0 | benzochromenone;
orthoquinones | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
| mollisin | [no description available] | medium | 1 | 0 | | |
| naphthoquinones | [no description available] | medium | 77 | 0 | | |
| nickel | [no description available] | medium | 1 | 0 | metal allergen;
nickel group element atom | epitope;
micronutrient |
| glycosides | [no description available] | medium | 1 | 0 | | |
| catechin | [no description available] | medium | 1 | 0 | catechin | antioxidant;
plant metabolite |
| warfarin | [no description available] | medium | 1 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| isobutylparaben | [no description available] | medium | 1 | 0 | 4-hydroxybenzoate ester | |
| epigallocatechin gallate | [no description available] | medium | 1 | 0 | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite |
| propylparaben | [no description available] | medium | 1 | 0 | benzoate ester;
paraben;
phenols | antifungal agent;
antimicrobial agent |
| 4-phenylcoumarin | [no description available] | medium | 1 | 0 | neoflavones | |
| indoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids;
monocarboxylic acid | auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite |
| glutamic acid | [no description available] | medium | 1 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
| leukotriene c4 | [no description available] | medium | 1 | 0 | leukotriene | bronchoconstrictor agent;
human metabolite;
mouse metabolite |
| calcimycin | [no description available] | medium | 1 | 0 | benzoxazole | |
| diospyrin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone;
ring assembly | |
| hyaluronoglucosaminidase | [no description available] | medium | 1 | 0 | | |
| gallic acid | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | antineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite |
| gamma-rubromycin | [no description available] | medium | 1 | 0 | | |
| 1,2,4-trimethoxybenzene | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| isocoumarins | [no description available] | medium | 1 | 0 | isocoumarins | |
| coronene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| oxoline | [no description available] | medium | 1 | 0 | aromatic ketone;
tetralins | geroprotector |
| rotenone | [no description available] | medium | 3 | 0 | organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin |
| dimethyl sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
| paraquat | [no description available] | medium | 1 | 0 | organic cation | geroprotector;
herbicide |
| beta-naphthoflavone | [no description available] | medium | 1 | 0 | extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
| rilmenidine | [no description available] | medium | 1 | 0 | isourea | |
| antimycin a | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
| n-heptane | [no description available] | medium | 1 | 0 | alkane;
volatile organic compound | non-polar solvent;
plant metabolite |
| oxazoles | [no description available] | medium | 1 | 0 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| agn 192403 | [no description available] | medium | 1 | 0 | | |
| bikaverin | [no description available] | medium | 1 | 0 | | |
| 2,3-dimethoxy-1,4-naphthoquinone | [no description available] | medium | 3 | 0 | 1,4-naphthoquinones | |
| 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 |
| 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 |
| mdl 201053 | [no description available] | medium | 1 | 0 | | |
| naphthalene | [no description available] | medium | 1 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
| phenylacetic acid | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid;
phenylacetic acids | allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin |
| thiazolyl blue | [no description available] | medium | 1 | 0 | organic bromide salt | colorimetric reagent;
dye |
| thiazoles | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| lucanthone hydrochloride | [no description available] | medium | 1 | 0 | | |
| oxytetracycline, anhydrous | [no description available] | medium | 1 | 0 | | |
| methionine sulfoximine | [no description available] | medium | 2 | 0 | methionine derivative;
non-proteinogenic alpha-amino acid;
sulfoximide | |
| buthionine sulfoximine | [no description available] | medium | 2 | 0 | diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer |
| dicumarol | [no description available] | medium | 3 | 0 | hydroxycoumarin | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist |
| hexacyanoferrate iii | [no description available] | medium | 1 | 0 | | |
| cytochalasin b | [no description available] | medium | 1 | 0 | cytochalasin;
lactam;
lactone;
organic heterotricyclic compound | actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor |
| n,n'-diphenyl-4-phenylenediamine | [no description available] | medium | 1 | 0 | N-substituted diamine;
secondary amino compound | antioxidant |
| deferoxamine | [no description available] | medium | 1 | 0 | acyclic desferrioxamine | bacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore |
| monensin | [no description available] | medium | 1 | 0 | cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal | antifungal agent;
coccidiostat;
ionophore |
| deuterium | [no description available] | medium | 1 | 0 | dihydrogen | |
| d-alpha tocopherol | [no description available] | medium | 1 | 0 | alpha-tocopherol | algal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite |
| verapamil | [no description available] | medium | 1 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| nitroglycerin | [no description available] | medium | 1 | 0 | nitroglycerol | explosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic |
| acridine orange | [no description available] | medium | 2 | 0 | aminoacridines;
aromatic amine;
tertiary amino compound | fluorochrome;
histological dye |
| pepstatin | [no description available] | medium | 3 | 0 | pentapeptide;
secondary carboxamide | bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor |
| thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
| acetonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent |
| deuterium oxide | [no description available] | medium | 1 | 0 | deuterated compound;
water | NMR solvent |
| bromine | [no description available] | medium | 1 | 0 | diatomic bromine | |
| rs 45041-190 | [no description available] | medium | 1 | 0 | isoindoles | |
| guanfacine | [no description available] | medium | 1 | 0 | acetamides | |
| idazoxan | [no description available] | medium | 1 | 0 | benzodioxine;
imidazolines | alpha-adrenergic antagonist |
| guanabenz | [no description available] | medium | 1 | 0 | dichlorobenzene | |
| bu 224 | [no description available] | medium | 1 | 0 | quinolines | |
| carmustine | [no description available] | medium | 1 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent |
| nad | [no description available] | medium | 1 | 0 | organophosphate oxoanion | cofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite |
| benzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mouse metabolite |
| benzo(a)pyrene 7,8-dihydrodiol | [no description available] | medium | 1 | 0 | pyrenes | |
| nadp | [no description available] | medium | 2 | 0 | | |
| 2-naphthol | [no description available] | medium | 2 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
| squaric acid | [no description available] | medium | 1 | 0 | alicyclic ketone;
carbon oxoacid | metabolite |
| hydrogen | [no description available] | medium | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
| 2,3-dihydroxybenzoic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid | human xenobiotic metabolite;
plant metabolite |
| tartronic acid | [no description available] | low | 0 | 0 | dicarboxylic acid;
dicarboxylic fatty acid | plant metabolite |
| protocatechuic acid | [no description available] | low | 0 | 0 | catechols;
dihydroxybenzoic acid | antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
| 3-phenylpropionic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | antifungal agent;
human metabolite;
plant metabolite |
| 4-hydroxybenzyl alcohol | [no description available] | low | 0 | 0 | benzyl alcohols;
phenols | plant metabolite |
| 4-hydroxybenzaldehyde | [no description available] | low | 0 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite |
| 4-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite |
| 4-hydroxybenzoic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | algal metabolite;
plant metabolite |
| aminolevulinic acid | [no description available] | low | 0 | 0 | 4-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid | antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite |
| allantoic acid | [no description available] | low | 0 | 0 | ureas | mouse metabolite;
plant metabolite |
| benzaldehyde | [no description available] | low | 0 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite |
| benzoic acid | [no description available] | low | 0 | 0 | benzoic acids | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
| betaine aldehyde | [no description available] | low | 0 | 0 | quaternary ammonium ion | Aspergillus metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite |
| cadaverine | [no description available] | low | 0 | 0 | alkane-alpha,omega-diamine | Daphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite |
| catechol | [no description available] | low | 0 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
| choline | [no description available] | low | 0 | 0 | cholines | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| coumarin | [no description available] | low | 0 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| cuminol | [no description available] | low | 0 | 0 | benzyl alcohols;
p-menthane monoterpenoid | fragrance;
insect repellent;
plant metabolite;
volatile oil component;
xenobiotic metabolite |
| cuminaldehyde | [no description available] | low | 0 | 0 | benzaldehydes | insecticide;
plant metabolite;
volatile oil component |
| 4-vinylguaiacol | [no description available] | low | 0 | 0 | phenols | flavouring agent;
pheromone;
plant metabolite |
| salicylic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
| 4-methylumbelliferyl acetate | [no description available] | low | 0 | 0 | acetate ester;
coumarins | plant metabolite |
| indoleacetamide | [no description available] | low | 0 | 0 | indoles;
monocarboxylic acid amide;
N-acylammonia | bacterial metabolite;
fungal metabolite;
plant metabolite |
| caprylic aldehyde | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde | plant metabolite |
| n(1)-methylnicotinamide | [no description available] | low | 0 | 0 | pyridinium ion | algal metabolite;
anti-inflammatory agent;
human urinary metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| guaiacol | [no description available] | low | 0 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite |
| 1-aminocyclopropane-1-carboxylic acid | [no description available] | low | 0 | 0 | amino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid | ethylene releasers;
plant metabolite |
| 3,4-dihydrocoumarin | [no description available] | low | 0 | 0 | chromanone | plant metabolite |
| homogentisic acid | [no description available] | low | 0 | 0 | dihydroxyphenylacetic acid;
hydroquinones | human metabolite;
plant metabolite |
| indol-3-yl pyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid;
indol-3-yl carboxylic acid | plant metabolite;
Saccharomyces cerevisiae metabolite |
| melilotic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite |
| racemethionine | [no description available] | low | 0 | 0 | alpha-amino acid;
amino acid zwitterion;
sulfur-containing amino acid | algal metabolite;
Daphnia magna metabolite;
Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| n-methylphenylethanolamine | [no description available] | low | 0 | 0 | alkaloid;
phenylethanolamines | human metabolite;
plant metabolite |
| niacin | [no description available] | low | 0 | 0 | pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3 | antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
| 1-octanol | [no description available] | low | 0 | 0 | octanol;
primary alcohol | antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite |
| oxalic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | algal metabolite;
human metabolite;
plant metabolite |
| 4-aminobenzoic acid | [no description available] | low | 0 | 0 | aminobenzoic acid;
aromatic amino-acid zwitterion | allergen;
Escherichia coli metabolite;
plant metabolite |
| palmitic acid | [no description available] | low | 0 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite |
| prephenic acid | [no description available] | low | 0 | 0 | oxo dicarboxylic acid | Escherichia coli metabolite;
plant metabolite |
| pyridoxamine | [no description available] | low | 0 | 0 | aminoalkylpyridine;
hydroxymethylpyridine;
monohydroxypyridine;
vitamin B6 | Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| tryptamine | [no description available] | low | 0 | 0 | aminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines | human metabolite;
mouse metabolite;
plant metabolite |
| vanillin | [no description available] | low | 0 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
| aminopropionitrile | [no description available] | low | 0 | 0 | aminopropionitrile | antineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite |
| meglutol | [no description available] | low | 0 | 0 | 3-hydroxy carboxylic acid;
dicarboxylic acid;
tertiary alcohol | anticholesteremic drug;
antimetabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
human metabolite;
plant metabolite |
| methylbufotenin | [no description available] | low | 0 | 0 | aromatic ether;
tertiary amino compound;
tryptamine alkaloid | hallucinogen;
plant metabolite |
| 7,8-dihydroxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone | antidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist |
| anabasine | [no description available] | low | 0 | 0 | piperidine alkaloid;
pyridine alkaloid | nicotinic acetylcholine receptor agonist;
plant metabolite;
teratogenic agent |
| acetovanillone | [no description available] | low | 0 | 0 | acetophenones;
aromatic ketone;
methyl ketone | antirheumatic drug;
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite |
| azelaic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite |
| benzyl benzoate | [no description available] | low | 0 | 0 | benzoate ester;
benzyl ester | acaricide;
plant metabolite;
scabicide |
| 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one | [no description available] | low | 0 | 0 | aromatic ether;
benzoxazine;
cyclic hydroxamic acid;
lactol | allelochemical;
plant metabolite |
| caffeic acid | [no description available] | low | 0 | 0 | catechols;
hydroxycinnamic acid | antioxidant;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite |
| caffeine | [no description available] | low | 0 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
| beta-glycerophosphoric acid | [no description available] | low | 0 | 0 | glycerol monophosphate | Escherichia coli metabolite;
plant metabolite |
| camphor, (+-)-isomer | [no description available] | low | 0 | 0 | bornane monoterpenoid;
cyclic monoterpene ketone | plant metabolite |
| cetyl alcohol | [no description available] | low | 0 | 0 | hexadecanol;
long-chain primary fatty alcohol | algal metabolite;
flavouring agent;
human metabolite;
plant metabolite |
| chrysanthemic acid | [no description available] | low | 0 | 0 | cyclopropanes;
monocarboxylic acid | plant metabolite |
| colchicine, (+-)-isomer | [no description available] | low | 0 | 0 | acetamides;
alkaloid;
aromatic ether;
carbotricyclic compound | microtubule-destabilising agent;
plant metabolite |
| decanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component |
| benzophenone | [no description available] | low | 0 | 0 | benzophenones | photosensitizing agent;
plant metabolite |
| ellipticine | [no description available] | low | 0 | 0 | indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene | antineoplastic agent;
plant metabolite |
| embelin | [no description available] | low | 0 | 0 | dihydroxy-1,4-benzoquinones | antimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite |
| guvacine | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine | GABA reuptake inhibitor;
plant metabolite |
| beta-thujaplicin | [no description available] | low | 0 | 0 | cyclic ketone;
enol;
monoterpenoid | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite |
| indole-3-carbinol | [no description available] | low | 0 | 0 | indolyl alcohol | antineoplastic agent;
plant metabolite |
| indolepropionic acid | [no description available] | low | 0 | 0 | indol-3-yl carboxylic acid | auxin;
human metabolite;
plant metabolite |
| lauric acid | [no description available] | low | 0 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
antibacterial agent;
plant metabolite |
| masoprocol | [no description available] | low | 0 | 0 | catechols;
lignan;
tetrol | antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite |
| phloretin | [no description available] | low | 0 | 0 | dihydrochalcones | antineoplastic agent;
plant metabolite |
| 4-aminobenzoic acid | [no description available] | low | 0 | 0 | aminobenzoate;
aromatic amino-acid anion | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| protopine | [no description available] | low | 0 | 0 | dibenzazecine alkaloid | plant metabolite |
| safrole | [no description available] | low | 0 | 0 | benzodioxoles | flavouring agent;
insecticide;
metabolite;
plant metabolite |
| sebacic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | human metabolite;
plant metabolite |
| stearic acid | [no description available] | low | 0 | 0 | long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite |
| sulforaphane | [no description available] | low | 0 | 0 | isothiocyanate;
sulfoxide | antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite |
| theobromine | [no description available] | low | 0 | 0 | dimethylxanthine | adenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
| triacetin | [no description available] | low | 0 | 0 | triglyceride | adjuvant;
antifungal drug;
food additive carrier;
food emulsifier;
food humectant;
fuel additive;
plant metabolite;
solvent |
| trigonelline | [no description available] | low | 0 | 0 | alkaloid;
iminium betaine | food component;
human urinary metabolite;
plant metabolite |
| undecylenic acid | [no description available] | low | 0 | 0 | undecenoic acid | antifungal drug;
plant metabolite |
| reserpine | [no description available] | low | 0 | 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 |
| hydroxyproline | [no description available] | low | 0 | 0 | 4-hydroxyproline;
L-alpha-amino acid zwitterion | human metabolite;
mouse metabolite;
plant metabolite |
| dipropylenetriame | [no description available] | low | 0 | 0 | polyazaalkane | algal metabolite;
plant metabolite |
| lysine | [no description available] | low | 0 | 0 | aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid | algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| vincristine | [no description available] | low | 0 | 0 | acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| levodopa | [no description available] | low | 0 | 0 | amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug |
| phenylethyl alcohol | [no description available] | low | 0 | 0 | benzenes;
primary alcohol | Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| phlorhizin | [no description available] | low | 0 | 0 | aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative | antioxidant;
plant metabolite |
| leucine | [no description available] | low | 0 | 0 | amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| phenylalanine | [no description available] | low | 0 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid | algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| asparagine | [no description available] | low | 0 | 0 | amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| n-pentanol | [no description available] | low | 0 | 0 | pentanol;
short-chain primary fatty alcohol | human metabolite;
plant metabolite |
| threonine | [no description available] | low | 0 | 0 | amino acid zwitterion;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
threonine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| tryptophan | [no description available] | low | 0 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan | antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| isoleucine | [no description available] | low | 0 | 0 | aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| ethane | [no description available] | low | 0 | 0 | alkane;
gas molecular entity | plant metabolite;
refrigerant |
| gibberellic acid | [no description available] | low | 0 | 0 | C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound | mouse metabolite;
plant metabolite |
| isophorone | [no description available] | low | 0 | 0 | cyclic ketone;
enone | plant metabolite;
solvent |
| linalool | [no description available] | low | 0 | 0 | monoterpenoid;
tertiary alcohol | antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component |
| isoprene | [no description available] | low | 0 | 0 | alkadiene;
hemiterpene;
volatile organic compound | plant metabolite |
| isobutylamine | [no description available] | low | 0 | 0 | alkylamines | plant metabolite |
| isobutyric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid;
fatty acid 4:0;
methyl-branched fatty acid | Daphnia magna metabolite;
plant metabolite;
volatile oil component |
| camphene | [no description available] | low | 0 | 0 | carbobicyclic compound;
monoterpene | fragrance;
plant metabolite |
| alpha-pinene | [no description available] | low | 0 | 0 | pinene | plant metabolite |
| visnagin | [no description available] | low | 0 | 0 | aromatic ether;
furanochromone;
polyketide | anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent |
| methyl n-methylanthranilate | [no description available] | low | 0 | 0 | benzoate ester;
methyl ester;
secondary amino compound;
substituted aniline | animal metabolite;
fungal metabolite;
plant metabolite |
| gramine | [no description available] | low | 0 | 0 | aminoalkylindole;
indole alkaloid;
tertiary amino compound | antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist |
| 2-furoic acid | [no description available] | low | 0 | 0 | furoic acid | bacterial xenobiotic metabolite;
human xenobiotic metabolite;
inhibitor;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| piperitone | [no description available] | low | 0 | 0 | cyclic terpene ketone;
p-menthane monoterpenoid | plant metabolite;
volatile oil component |
| resacetophenone | [no description available] | low | 0 | 0 | dihydroxyacetophenone;
resorcinols | plant metabolite |
| salicylaldehyde | [no description available] | low | 0 | 0 | hydroxybenzaldehyde | nematicide;
plant metabolite |
| 1-methylnaphthalene | [no description available] | low | 0 | 0 | methylnaphthalene | carcinogenic agent;
plant metabolite |
| pseudoephedrine | [no description available] | low | 0 | 0 | phenylethanolamines;
secondary alcohol;
secondary amino compound | anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| pyrogallol 1,3-dimethyl ether | [no description available] | low | 0 | 0 | dimethoxybenzene;
phenols | plant metabolite |
| veratrole | [no description available] | low | 0 | 0 | dimethoxybenzene | plant metabolite |
| isatin | [no description available] | low | 0 | 0 | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| phenothiazine | [no description available] | low | 0 | 0 | phenothiazine | ferroptosis inhibitor;
plant metabolite;
radical scavenger |
| veratric acid | [no description available] | low | 0 | 0 | benzoic acids | allergen;
plant metabolite |
| synephrine | [no description available] | low | 0 | 0 | ethanolamines;
phenethylamine alkaloid;
phenols | alpha-adrenergic agonist;
plant metabolite |
| piperonylic acid | [no description available] | low | 0 | 0 | aromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid | antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary |
| benzothiazole | [no description available] | low | 0 | 0 | benzothiazoles | environmental contaminant;
plant metabolite;
xenobiotic |
| 2-methylbutanal | [no description available] | low | 0 | 0 | 2-methyl-branched fatty aldehyde;
methylbutanal | plant metabolite;
Saccharomyces cerevisiae metabolite;
volatile oil component |
| methylcyclopentane | [no description available] | low | 0 | 0 | cycloalkane;
volatile organic compound | human metabolite;
plant metabolite |
| phosphoribosyl pyrophosphate | [no description available] | low | 0 | 0 | 5-O-phosphono-D-ribofuranosyl diphosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite |
| 2-methylvaleric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid;
methyl-branched fatty acid;
monocarboxylic acid;
short-chain fatty acid | flavouring agent;
fragrance;
plant metabolite |
| ethyl 2-methylpropanoate | [no description available] | low | 0 | 0 | fatty acid ethyl ester | plant metabolite |
| 3-hydroxybenzoic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | bacterial metabolite;
plant metabolite |
| methyl gallate | [no description available] | low | 0 | 0 | gallate ester | anti-inflammatory agent;
antioxidant;
plant metabolite |
| carveol | [no description available] | low | 0 | 0 | limonene monoterpenoid | plant metabolite;
volatile oil component |
| methylparaben | [no description available] | low | 0 | 0 | paraben | antifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite |
| alpha phellandrene | [no description available] | low | 0 | 0 | cyclohexadiene;
phellandrene | antimicrobial agent;
plant metabolite;
volatile oil component |
| gamma-terpinene | [no description available] | low | 0 | 0 | cyclohexadiene;
monoterpene | antioxidant;
human xenobiotic metabolite;
plant metabolite;
volatile oil component |
| alpha-terpinene | [no description available] | low | 0 | 0 | cyclohexadiene;
monoterpene | plant metabolite;
volatile oil component |
| 4-cymene | [no description available] | low | 0 | 0 | monoterpene;
toluenes | human urinary metabolite;
plant metabolite;
volatile oil component |
| 4-hydroxyacetophenone | [no description available] | low | 0 | 0 | monohydroxyacetophenone | fungal metabolite;
mouse metabolite;
plant metabolite |
| 4-anisic acid | [no description available] | low | 0 | 0 | methoxybenzoic acid | plant metabolite |
| styrene | [no description available] | low | 0 | 0 | styrenes;
vinylarene;
volatile organic compound | mouse metabolite;
mutagen;
plant metabolite |
| benzylamine | [no description available] | low | 0 | 0 | aralkylamine;
primary amine | allergen;
EC 3.5.5.1 (nitrilase) inhibitor;
plant metabolite |
| anisole | [no description available] | low | 0 | 0 | monomethoxybenzene | plant metabolite |
| phenyl ether | [no description available] | low | 0 | 0 | aromatic ether | plant metabolite |
| 1,3-diphenylurea | [no description available] | low | 0 | 0 | phenylureas | cytokinin;
plant metabolite |
| 3-phenylpropanal | [no description available] | low | 0 | 0 | aldehyde;
benzenes | flavouring agent;
plant metabolite |
| 2-ethylhexanol | [no description available] | low | 0 | 0 | primary alcohol | plant metabolite;
volatile oil component |
| 4-methylbenzaldehyde | [no description available] | low | 0 | 0 | tolualdehyde | plant metabolite |
| ethyl butyrate | [no description available] | low | 0 | 0 | butyrate ester | plant metabolite |
| 12-hydroxy stearic acid | [no description available] | low | 0 | 0 | hydroxyoctadecanoic acid;
secondary alcohol | bacterial xenobiotic metabolite;
plant metabolite |
| methyl caproate | [no description available] | low | 0 | 0 | fatty acid methyl ester;
hexanoate ester | flavouring agent;
plant metabolite |
| propanethiol | [no description available] | low | 0 | 0 | alkanethiol | plant metabolite |
| allyl alcohol | [no description available] | low | 0 | 0 | primary allylic alcohol;
propenol | antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite |
| isoamylamine | [no description available] | low | 0 | 0 | primary aliphatic amine | bacterial metabolite;
plant metabolite |
| 2-pentanone | [no description available] | low | 0 | 0 | methyl ketone;
pentanone | plant metabolite |
| methylcyclohexane | [no description available] | low | 0 | 0 | cycloalkane;
volatile organic compound | aprotic solvent;
human metabolite;
plant metabolite |
| n-pentanoic acid | [no description available] | low | 0 | 0 | short-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
| propyl acetate | [no description available] | low | 0 | 0 | acetate ester | fragrance;
plant metabolite |
| allyl cyanide | [no description available] | low | 0 | 0 | aliphatic nitrile;
olefinic compound | antifeedant;
neurotoxin;
plant metabolite |
| ethyl formate | [no description available] | low | 0 | 0 | ethyl ester;
formate ester | fumigant;
plant metabolite |
| pentanal | [no description available] | low | 0 | 0 | saturated fatty aldehyde | plant metabolite |
| piperidine | [no description available] | low | 0 | 0 | azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine | base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent |
| heptanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
| 1-hexanol | [no description available] | low | 0 | 0 | hexanol;
primary alcohol | alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite |
| ethyl stearate | [no description available] | low | 0 | 0 | long-chain fatty acid ethyl ester;
octadecanoate ester | plant metabolite |
| heptanol | [no description available] | low | 0 | 0 | heptanol;
primary alcohol | flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite |
| nonane | [no description available] | low | 0 | 0 | alkane | plant metabolite;
volatile oil component |
| pelargonic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
antifeedant;
Daphnia magna metabolite;
plant metabolite |
| undecan-2-one | [no description available] | low | 0 | 0 | dialkyl ketone;
methyl ketone | plant metabolite;
rodenticide |
| octyl acetate | [no description available] | low | 0 | 0 | acetate ester | plant metabolite |
| decanaldehyde | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde | antifungal agent;
fragrance;
plant metabolite |
| n-dodecane | [no description available] | low | 0 | 0 | alkane | plant metabolite |
| undecan-1-ol | [no description available] | low | 0 | 0 | primary alcohol;
undecanol | flavouring agent;
plant metabolite |
| undecanal | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde | antimycobacterial drug;
plant metabolite;
volatile oil component |
| dodecanol | [no description available] | low | 0 | 0 | dodecanol;
primary alcohol | bacterial metabolite;
cosmetic;
insect attractant;
insecticide;
pheromone;
plant metabolite |
| 1-tridecanol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol;
tridecanol | bacterial metabolite;
human metabolite;
plant metabolite |
| myristyl alcohol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol;
tetradecanol | pheromone;
plant metabolite;
volatile oil component |
| behenic acid | [no description available] | low | 0 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
| stearyl alcohol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol;
octadecanol | algal metabolite;
human metabolite;
plant metabolite |
| eicosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite |
| 3-hydroxy-3-methylbutene | [no description available] | low | 0 | 0 | olefinic compound;
tertiary alcohol | animal metabolite;
fragrance;
pheromone;
plant metabolite |
| 3,4,5-trimethoxybenzoic acid | [no description available] | low | 0 | 0 | benzoic acids;
methoxybenzenes | human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
| 2-chlorobenzoic acid | [no description available] | low | 0 | 0 | 2-halobenzoic acid;
monochlorobenzoic acid | plant hormone;
plant metabolite |
| scoparone | [no description available] | low | 0 | 0 | aromatic ether;
coumarins | anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite |
| dimethoxyphenylethylamine | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
phenylethylamine | allergen;
plant metabolite |
| ethyl-p-hydroxybenzoate | [no description available] | low | 0 | 0 | ethyl ester;
paraben | antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite |
| piperonal | [no description available] | low | 0 | 0 | arenecarbaldehyde;
benzodioxoles | fragrance;
insect repellent;
plant metabolite |
| vanillic acid | [no description available] | low | 0 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | plant metabolite |
| peucedanin | [no description available] | low | 0 | 0 | aromatic ether;
furanocoumarin;
lactone | plant metabolite |
| indolebutyric acid | [no description available] | low | 0 | 0 | indol-3-yl carboxylic acid | auxin;
plant hormone;
plant metabolite |
| syringaldehyde | [no description available] | low | 0 | 0 | dimethoxybenzene;
hydroxybenzaldehyde | hypoglycemic agent;
plant metabolite |
| 2-aminothiophenol | [no description available] | low | 0 | 0 | aryl thiol;
substituted aniline | plant metabolite |
| shikimic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| estragole | [no description available] | low | 0 | 0 | alkenylbenzene;
monomethoxybenzene;
phenylpropanoid | carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite |
| citronellol | [no description available] | low | 0 | 0 | monoterpenoid | plant metabolite |
| ethyl acetoacetate | [no description available] | low | 0 | 0 | ethyl ester | antibacterial agent;
flavouring agent;
plant metabolite |
| 2-hydroxypyridine | [no description available] | low | 0 | 0 | monohydroxypyridine | plant metabolite |
| hexanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | human metabolite;
plant metabolite |
| 1-nonanol | [no description available] | low | 0 | 0 | nonanol;
primary alcohol | antifungal agent;
flavouring agent;
plant metabolite;
volatile oil component |
| 2-vanillin | [no description available] | low | 0 | 0 | benzaldehydes;
guaiacols | antimutagen;
plant metabolite |
| citronellyl acetate | [no description available] | low | 0 | 0 | acetate ester;
monoterpenoid | plant metabolite |
| chrysene | [no description available] | low | 0 | 0 | ortho-fused polycyclic arene | plant metabolite |
| azulene | [no description available] | low | 0 | 0 | azulenes;
mancude carbobicyclic parent;
ortho-fused bicyclic arene | plant metabolite;
volatile oil component |
| ephedrine | [no description available] | low | 0 | 0 | phenethylamine alkaloid;
phenylethanolamines | bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| pseudoephedrine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | plant metabolite |
| galantamine | [no description available] | low | 0 | 0 | benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound | antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite |
| citrulline | [no description available] | low | 0 | 0 | amino acid zwitterion;
citrulline | Daphnia magna metabolite;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
protective agent;
Saccharomyces cerevisiae metabolite |
| 4-methylcatechol | [no description available] | low | 0 | 0 | methylcatechol | antioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite |
| beta-erythroidine | [no description available] | low | 0 | 0 | delta-lactone;
indole alkaloid;
organic heterotetracyclic compound;
tertiary amino compound | muscle relaxant;
plant metabolite |
| glycyrrhetinic acid | [no description available] | low | 0 | 0 | cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid | immunomodulator;
plant metabolite |
| pinane | [no description available] | low | 0 | 0 | carbobicyclic compound;
monoterpene;
terpenoid fundamental parent | plant metabolite |
| emetine | [no description available] | low | 0 | 0 | isoquinoline alkaloid;
pyridoisoquinoline | antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor |
| reticulin | [no description available] | low | 0 | 0 | benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
isoquinolinol | plant metabolite |
| cytisine | [no description available] | low | 0 | 0 | alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound | nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite |
| indole-3-carbaldehyde | [no description available] | low | 0 | 0 | heteroarenecarbaldehyde;
indole alkaloid;
indoles | bacterial metabolite;
human xenobiotic metabolite;
marine metabolite;
plant metabolite |
| phenylpropanolamine | [no description available] | low | 0 | 0 | amphetamines;
phenethylamine alkaloid | plant metabolite |
| 4-hydroxyphenylethanol | [no description available] | low | 0 | 0 | phenols | anti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent |
| phloretic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid | plant metabolite |
| citronellic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid;
monoterpenoid;
monounsaturated fatty acid | flavouring agent;
plant metabolite |
| isovaleric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid;
methylbutyric acid;
short-chain fatty acid | mammalian metabolite;
plant metabolite |
| iberin | [no description available] | low | 0 | 0 | isothiocyanate;
sulfoxide | apoptosis inducer;
plant metabolite;
quorum sensing inhibitor |
| 16-hydroxypalmitic acid | [no description available] | low | 0 | 0 | hydroxypalmitic acid;
omega-hydroxy-long-chain fatty acid | plant metabolite |
| arachidic acid | [no description available] | low | 0 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
| octacosanoic acid | [no description available] | low | 0 | 0 | straight-chain saturated fatty acid;
ultra-long-chain fatty acid | plant metabolite |
| oleanolic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
| ascaridole | [no description available] | low | 0 | 0 | organic heterobicyclic compound;
organic peroxide;
p-menthane monoterpenoid | antileishmanial agent;
antinematodal drug;
plant metabolite |
| abietic acid | [no description available] | low | 0 | 0 | abietane diterpenoid;
monocarboxylic acid | plant metabolite |
| hematoxylin | [no description available] | low | 0 | 0 | organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol | histological dye;
plant metabolite |
| podophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| pyridoxamine dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride;
vitamin B6 | Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| tryptophol | [no description available] | low | 0 | 0 | indolyl alcohol | auxin;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| hemimellitene | [no description available] | low | 0 | 0 | trimethylbenzene | neurotoxin;
plant metabolite |
| 2-methylbenzaldehyde | [no description available] | low | 0 | 0 | tolualdehyde | plant metabolite |
| syringic acid | [no description available] | low | 0 | 0 | benzoic acids;
dimethoxybenzene;
phenols | plant metabolite |
| 6-methoxybenzoxazolinone | [no description available] | low | 0 | 0 | aromatic ether;
benzoxazole | antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite |
| 1,1-dimethoxyethane | [no description available] | low | 0 | 0 | acetal;
diether | flavouring agent;
plant metabolite |
| 2-methylfuran | [no description available] | low | 0 | 0 | furans;
volatile organic compound | flavouring agent;
fuel;
hepatotoxic agent;
human urinary metabolite;
plant metabolite |
| perillyl alcohol | [no description available] | low | 0 | 0 | limonene monoterpenoid | plant metabolite;
volatile oil component |
| cumic acid | [no description available] | low | 0 | 0 | cumic acid | plant metabolite |
| tricaprylin | [no description available] | low | 0 | 0 | octanoate ester;
triglyceride | anticonvulsant;
plant metabolite |
| senecioic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
methyl-branched fatty acid;
monounsaturated fatty acid;
short-chain fatty acid | plant metabolite |
| 3-hexen-1-ol | [no description available] | low | 0 | 0 | alkenyl alcohol;
homoallylic alcohol;
primary alcohol;
volatile organic compound | plant metabolite |
| n-hexadecane | [no description available] | low | 0 | 0 | long-chain alkane | non-polar solvent;
plant metabolite;
volatile oil component |
| beta-phellandrene | [no description available] | low | 0 | 0 | phellandrene | plant metabolite |
| tristearin | [no description available] | low | 0 | 0 | triacylglycerol 54:0 | Caenorhabditis elegans metabolite;
plant metabolite |
| lignoceric acid | [no description available] | low | 0 | 0 | straight-chain saturated fatty acid;
very long-chain fatty acid | Daphnia tenebrosa metabolite;
human metabolite;
plant metabolite;
volatile oil component |
| 4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | [no description available] | low | 0 | 0 | terpineol;
tertiary alcohol | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component |
| 6-methylsalicylic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | Penicillium metabolite;
plant metabolite |
| 1-phenyl-1,2-propanedione | [no description available] | low | 0 | 0 | alpha-diketone;
aromatic ketone | plant metabolite |
| 2-methylcyclohexanone | [no description available] | low | 0 | 0 | cyclohexanones | flavouring agent;
plant metabolite |
| terpinolene | [no description available] | low | 0 | 0 | p-menthadiene | insect repellent;
plant metabolite;
sedative;
volatile oil component |
| isovalerylaldehyde | [no description available] | low | 0 | 0 | methylbutanal | flavouring agent;
plant metabolite;
Saccharomyces cerevisiae metabolite;
volatile oil component |
| levulinic acid | [no description available] | low | 0 | 0 | oxopentanoic acid;
straight-chain saturated fatty acid | plant metabolite |
| 2-tridecanone | [no description available] | low | 0 | 0 | methyl ketone | flavouring agent;
plant metabolite |
| octadecane | [no description available] | low | 0 | 0 | long-chain alkane | bacterial metabolite;
plant metabolite |
| dimethylselenide | [no description available] | low | 0 | 0 | organoselenium compound | bacterial xenobiotic metabolite;
plant metabolite |
| chorismic acid | [no description available] | low | 0 | 0 | 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| 2-methyl-5-(1-methylethenyl)cyclohexanol | [no description available] | low | 0 | 0 | p-menthane monoterpenoid;
secondary alcohol | acaricide;
plant metabolite;
volatile oil component |
| 4-carboxybenzaladehyde | [no description available] | low | 0 | 0 | benzaldehydes;
benzoic acids;
monocarboxylic acid | plant metabolite |
| 3-methylbenzaldehyde | [no description available] | low | 0 | 0 | tolualdehyde | plant metabolite |
| isovanillin | [no description available] | low | 0 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite |
| 2,5-dimethylfuran | [no description available] | low | 0 | 0 | furans | antifungal agent;
bacterial metabolite;
fuel;
fumigant;
human urinary metabolite;
Maillard reaction product;
plant metabolite |
| 2-hexanol | [no description available] | low | 0 | 0 | hexanol;
secondary alcohol | human metabolite;
plant metabolite;
semiochemical |
| ethyl palmitate | [no description available] | low | 0 | 0 | hexadecanoate ester;
long-chain fatty acid ethyl ester | plant metabolite |
| 2-nonanol | [no description available] | low | 0 | 0 | nonanol;
secondary alcohol | bacterial metabolite;
flavouring agent;
pheromone;
plant metabolite;
rat metabolite;
volatile oil component |
| n-propyl disulfide | [no description available] | low | 0 | 0 | organic disulfide | plant metabolite |
| tridecane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite;
volatile oil component |
| n-tetradecane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite;
volatile oil component |
| pentadecane | [no description available] | low | 0 | 0 | long-chain alkane | animal metabolite;
plant metabolite;
volatile oil component |
| heptadecane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite;
volatile oil component |
| nonadecane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite;
volatile oil component |
| n-heneicosane | [no description available] | low | 0 | 0 | long-chain alkane | pheromone;
plant metabolite;
volatile oil component |
| docosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite |
| octacosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite |
| nonacosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite;
volatile oil component |
| bulbocapnine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
oxacycle;
phenols | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite |
| 1,2,3-trimethoxybenzene | [no description available] | low | 0 | 0 | methoxybenzenes | plant metabolite |
| 2-pyrrolecarboxylic acid | [no description available] | low | 0 | 0 | pyrrolecarboxylic acid | plant metabolite |
| tridecanoic acid | [no description available] | low | 0 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
| n-tricosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite;
volatile oil component |
| 2-propylphenol | [no description available] | low | 0 | 0 | phenols | flavouring agent;
plant metabolite |
| isovanillic acid | [no description available] | low | 0 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | antibacterial agent;
plant metabolite |
| tetracosane | [no description available] | low | 0 | 0 | long-chain alkane | plant metabolite;
volatile oil component |
| docosanol | [no description available] | low | 0 | 0 | docosanol;
long-chain primary fatty alcohol | antiviral drug;
plant metabolite |
| 2-methylpyrrolidine | [no description available] | low | 0 | 0 | pyrrolidines | plant metabolite |
| 2-nonanone | [no description available] | low | 0 | 0 | methyl ketone | plant metabolite |
| ethyl gallate | [no description available] | low | 0 | 0 | gallate ester | plant metabolite |
| 3-methylfuran | [no description available] | low | 0 | 0 | furans;
volatile organic compound | Aspergillus metabolite;
environmental contaminant;
fungal metabolite;
Penicillium metabolite;
plant metabolite |
| pentadecanoic acid | [no description available] | low | 0 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
food component;
human blood serum metabolite;
plant metabolite |
| dihydroferulic acid | [no description available] | low | 0 | 0 | guaiacols;
monocarboxylic acid;
phenylpropanoid | antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite |
| fenchone, (+-)-isomer | [no description available] | low | 0 | 0 | carbobicyclic compound;
cyclic terpene ketone;
fenchane monoterpenoid | plant metabolite |
| beta-pinene | [no description available] | low | 0 | 0 | pinene | plant metabolite |
| glycyrrhizic acid | [no description available] | low | 0 | 0 | enone;
glucosiduronic acid;
pentacyclic triterpenoid;
tricarboxylic acid;
triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor;
plant metabolite |
| selenomethionine | [no description available] | low | 0 | 0 | selenoamino acid;
selenomethionines | plant metabolite |
| 1-pentene-3-one | [no description available] | low | 0 | 0 | enone | flavouring agent;
genotoxin;
human metabolite;
plant metabolite |
| dodecyldimethylamine oxide | [no description available] | low | 0 | 0 | tertiary amine oxide | detergent;
plant metabolite |
| 2-undecanol | [no description available] | low | 0 | 0 | secondary alcohol;
undecanol | animal metabolite;
flavouring agent;
pheromone;
plant metabolite;
volatile oil component |
| digoxigenin | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
14beta-hydroxy steroid;
3beta-hydroxy steroid;
3beta-sterol | hapten;
plant metabolite |
| heliamine | [no description available] | low | 0 | 0 | aromatic ether;
diether;
isoquinoline alkaloid;
isoquinolines | plant metabolite |
| 6h-dibenzo-(b,d)-pyran-6-one | [no description available] | low | 0 | 0 | benzochromenone | plant metabolite |
| diallyl disulfide | [no description available] | low | 0 | 0 | organic disulfide | antifungal agent;
antineoplastic agent;
plant metabolite |
| glaucine | [no description available] | low | 0 | 0 | aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound | antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite |
| dihydroconiferyl alcohol | [no description available] | low | 0 | 0 | eugenol;
primary alcohol | plant metabolite |
| propyl benzoate | [no description available] | low | 0 | 0 | benzoate ester | antimicrobial food preservative;
flavouring agent;
plant metabolite |
| tricosanoic acid | [no description available] | low | 0 | 0 | straight-chain saturated fatty acid;
very long-chain fatty acid | Daphnia magna metabolite;
human metabolite;
plant metabolite |
| alpha-terpineol | [no description available] | low | 0 | 0 | terpineol | plant metabolite |
| acetosyringone | [no description available] | low | 0 | 0 | acetophenones;
dimethoxybenzene;
phenols | anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite |
| pentadecanal | [no description available] | low | 0 | 0 | 2,3-saturated fatty aldehyde;
long-chain fatty aldehyde | antimicrobial agent;
plant metabolite;
volatile oil component |
| 2-ethylfuran | [no description available] | low | 0 | 0 | furans;
volatile organic compound | bacterial metabolite;
fragrance;
Maillard reaction product;
plant metabolite |
| sabinene | [no description available] | low | 0 | 0 | thujene | plant metabolite |
| palmatine | [no description available] | low | 0 | 0 | berberine alkaloid;
organic heterotetracyclic compound | plant metabolite |
| n-butylbenzenesulfonamide | [no description available] | low | 0 | 0 | sulfonamide | neurotoxin;
plant metabolite |
| furaneol | [no description available] | low | 0 | 0 | cyclic ketone;
enol;
furans | flavouring agent;
fragrance;
plant metabolite |
| methyl vanillate | [no description available] | low | 0 | 0 | aromatic ether;
benzoate ester;
phenols | antioxidant;
plant metabolite |
| 2-octanol | [no description available] | low | 0 | 0 | octanol;
secondary alcohol | plant metabolite;
volatile oil component |
| 5-methoxyindole-2-carboxylic acid | [no description available] | low | 0 | 0 | aromatic ether;
indolecarboxylic acid | EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor;
hypoglycemic agent;
plant metabolite |
| canadine, (s)-isomer | [no description available] | low | 0 | 0 | an (S)-7,8,13,14-tetrahydroprotoberberine;
canadine | plant metabolite |
| 14-methylhexadecanoic acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid;
long-chain fatty acid;
methyl-branched fatty acid | mammalian metabolite;
plant metabolite |
| 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 |
| dimethyldiselenide | [no description available] | low | 0 | 0 | organoselenium compound | bacterial metabolite;
human xenobiotic metabolite;
mammalian metabolite;
plant metabolite |
| camptothecin | [no description available] | low | 0 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
| isopentenyladenosine | [no description available] | low | 0 | 0 | N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue | antineoplastic agent;
plant growth regulator;
plant metabolite |
| s-methylcysteine | [no description available] | low | 0 | 0 | S-alkyl-L-cysteine zwitterion;
S-alkyl-L-cysteine | human urinary metabolite;
plant metabolite |
| dihydrocarvone | [no description available] | low | 0 | 0 | dihydrocarvones | plant metabolite |
| marmesin, (r)-isomer | [no description available] | low | 0 | 0 | marmesin | plant metabolite;
rat metabolite;
xenobiotic metabolite |
| 4-hydroxybenzylcyanide | [no description available] | low | 0 | 0 | hydroxynitrile | plant metabolite |
| 2,3,5-trimethylpyrazine | [no description available] | low | 0 | 0 | pyrazines | animal metabolite;
bacterial metabolite;
flavouring agent;
pheromone;
plant metabolite |
| 2,4-dihydroxy-1,4-benzoxazin-3-one | [no description available] | low | 0 | 0 | benzoxazine;
cyclic hydroxamic acid;
lactol | allelochemical;
herbicide;
phytotoxin;
plant metabolite |
| precocene i | [no description available] | low | 0 | 0 | aromatic ether;
chromenes | plant metabolite;
precocenes |
| 1-deoxynojirimycin | [no description available] | low | 0 | 0 | 2-(hydroxymethyl)piperidine-3,4,5-triol;
piperidine alkaloid | anti-HIV agent;
anti-obesity agent;
bacterial metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
plant metabolite |
| neohesperidin dihydrochalcone | [no description available] | low | 0 | 0 | dihydrochalcones;
disaccharide derivative;
neohesperidoside | environmental contaminant;
plant metabolite;
sweetening agent;
xenobiotic |
| zingerone | [no description available] | low | 0 | 0 | methyl ketone;
monomethoxybenzene;
phenols | anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent |
| 4-anisaldehyde | [no description available] | low | 0 | 0 | benzaldehydes | bacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite |
| myrcene | [no description available] | low | 0 | 0 | monoterpene | anabolic agent;
anti-inflammatory agent;
flavouring agent;
fragrance;
plant metabolite;
volatile oil component |
| diacetone alcohol | [no description available] | low | 0 | 0 | beta-hydroxy ketone | plant metabolite |
| methyl tetradecanoate | [no description available] | low | 0 | 0 | fatty acid methyl ester | flavouring agent;
fragrance;
plant metabolite |
| nonanal | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde | human metabolite;
plant metabolite |
| tetradecanal | [no description available] | low | 0 | 0 | 2,3-saturated fatty aldehyde;
long-chain fatty aldehyde | bacterial metabolite;
plant metabolite |
| silybin | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone | antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite |
| amygdalin | [no description available] | low | 0 | 0 | cyanogenic glycoside;
disaccharide derivative;
gentiobioside | plant metabolite |
| colforsin | [no description available] | low | 0 | 0 | acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol | adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist |
| swainsonine | [no description available] | low | 0 | 0 | indolizidine alkaloid | antineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite |
| octyl gallate | [no description available] | low | 0 | 0 | gallate ester | food antioxidant;
hypoglycemic agent;
plant metabolite |
| vanillyl alcohol | [no description available] | low | 0 | 0 | benzyl alcohols;
guaiacols | plant metabolite |
| benzylaminopurine | [no description available] | low | 0 | 0 | 6-aminopurines | cytokinin;
plant metabolite |
| allyl methyl disulfide | [no description available] | low | 0 | 0 | organic disulfide | plant metabolite;
volatile oil component |
| octyl glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside | plant metabolite |
| dihydrochalcone | [no description available] | low | 0 | 0 | dihydrochalcones | plant metabolite |
| ursolic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | geroprotector;
plant metabolite |
| betulinic acid | [no description available] | low | 0 | 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 |
| calanolide a | [no description available] | low | 0 | 0 | cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol | HIV-1 reverse transcriptase inhibitor;
plant metabolite |
| baicalin | [no description available] | low | 0 | 0 | dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative | antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug |
| aica ribonucleotide | [no description available] | low | 0 | 0 | 1-(phosphoribosyl)imidazolecarboxamide;
aminoimidazole | cardiovascular drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| salvin | [no description available] | low | 0 | 0 | abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid | angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite |
| 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | [no description available] | low | 0 | 0 | gallate ester;
galloyl beta-D-glucose | anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger |
| obtusifoliol | [no description available] | low | 0 | 0 | 14alpha-methyl steroid;
3beta-sterol | mouse metabolite;
plant metabolite |
| baccatin iii | [no description available] | low | 0 | 0 | acetate ester;
benzoate ester;
tetracyclic diterpenoid | plant metabolite |
| secoisolariciresinol | [no description available] | low | 0 | 0 | secoisolariciresinol | antidepressant;
phytoestrogen;
plant metabolite |
| solanidine | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
solanid-5-en-3-ol;
steroid alkaloid fundamental parent | plant metabolite;
toxin |
| valerophenone | [no description available] | low | 0 | 0 | aromatic ketone | plant metabolite;
volatile oil component |
| 2,4,6-trihydroxyacetophenone | [no description available] | low | 0 | 0 | aromatic ketone;
benzenetriol;
methyl ketone | MALDI matrix material;
plant metabolite |
| tangeretin | [no description available] | low | 0 | 0 | pentamethoxyflavone | antineoplastic agent;
plant metabolite |
| djenkolic acid | [no description available] | low | 0 | 0 | dithioacetal;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid | plant metabolite;
toxin |
| 1-hexacosanol | [no description available] | low | 0 | 0 | hexacosanol;
very long-chain primary fatty alcohol | insecticide;
plant metabolite |
| actinidine | [no description available] | low | 0 | 0 | cyclopentapyridine;
pyridine alkaloid | pheromone;
plant metabolite |
| 7-methylxanthine | [no description available] | low | 0 | 0 | oxopurine;
purine alkaloid | human xenobiotic metabolite;
mouse metabolite;
plant metabolite |
| 1-octacosanol | [no description available] | low | 0 | 0 | fatty alcohol 28:0;
ultra-long-chain primary fatty alcohol | plant metabolite |
| suberosin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins | anticoagulant;
plant metabolite |
| artemisinin | [no description available] | low | 0 | 0 | organic peroxide;
sesquiterpene lactone | antimalarial;
plant metabolite |
| isoscopoletin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxycoumarin | plant metabolite |
| methyl syringate | [no description available] | low | 0 | 0 | benzoate ester;
dimethoxybenzene;
phenols | plant metabolite |
| gallocatechol | [no description available] | low | 0 | 0 | catechin;
flavan-3,3',4',5,5',7-hexol | antioxidant;
food component;
plant metabolite |
| hesperetin | [no description available] | low | 0 | 0 | 3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone | antineoplastic agent;
antioxidant;
plant metabolite |
| sesamin | [no description available] | low | 0 | 0 | benzodioxoles;
furofuran;
lignan | antineoplastic agent;
neuroprotective agent;
plant metabolite |
| tetrahydroalstonine | [no description available] | low | 0 | 0 | methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid | plant metabolite |
| nobiletin | [no description available] | low | 0 | 0 | methoxyflavone | antineoplastic agent;
plant metabolite |
| lycorine | [no description available] | low | 0 | 0 | indolizidine alkaloid | anticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor |
| picropodophyllin | [no description available] | low | 0 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor |
| alantolactone | [no description available] | low | 0 | 0 | naphthofuran;
olefinic compound;
sesquiterpene lactone | antineoplastic agent;
apoptosis inducer;
plant metabolite |
| vexibinol | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
tetrahydroxyflavanone | antimalarial;
antimicrobial agent;
antioxidant;
plant metabolite |
| kaurenoic acid | [no description available] | low | 0 | 0 | ent-kaurane diterpenoid | anti-HIV-1 agent;
antineoplastic agent;
plant metabolite |
| beta-amyrin | [no description available] | low | 0 | 0 | pentacyclic triterpenoid;
secondary alcohol | Aspergillus metabolite;
plant metabolite |
| pinostrobin | [no description available] | low | 0 | 0 | monohydroxyflavanone;
monomethoxyflavanone | antidote;
plant metabolite |
| xanthomicrol | [no description available] | low | 0 | 0 | dihydroxyflavone;
trimethoxyflavone | antineoplastic agent;
plant metabolite |
| voacamine | [no description available] | low | 0 | 0 | alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
plant metabolite |
| isoalantolactone | [no description available] | low | 0 | 0 | eudesmane sesquiterpenoid;
sesquiterpene lactone | antifungal agent;
apoptosis inducer;
plant metabolite |
| pulsatilla saponin a | [no description available] | low | 0 | 0 | disaccharide derivative;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid;
triterpenoid saponin | anti-inflammatory agent;
plant metabolite |
| hederagenin | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin | plant metabolite |
| magnoflorine | [no description available] | low | 0 | 0 | aporphine alkaloid;
quaternary ammonium ion | plant metabolite |
| brazilin | [no description available] | low | 0 | 0 | catechols;
organic heterotetracyclic compound;
tertiary alcohol | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
biological pigment;
hepatoprotective agent;
histological dye;
NF-kappaB inhibitor;
plant metabolite |
| strychnine n-oxide | [no description available] | low | 0 | 0 | monoterpenoid indole alkaloid;
organic heteroheptacyclic compound;
tertiary amine oxide | plant metabolite |
| pinoresinol | [no description available] | low | 0 | 0 | pinoresinol | hypoglycemic agent;
phytoestrogen;
plant metabolite |
| dauricine | [no description available] | low | 0 | 0 | aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound | plant metabolite |
| madecassic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pentacyclic triterpenoid;
tetrol | antioxidant;
plant metabolite |
| uvaretin | [no description available] | low | 0 | 0 | aromatic ether;
dihydrochalcones;
polyketide;
resorcinol | antineoplastic agent;
plant metabolite |
| fangchinoline | [no description available] | low | 0 | 0 | aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle | anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite |
| sakuranetin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavonoid phytoalexin;
monomethoxyflavanone | antimycobacterial drug;
plant metabolite |
| maslinic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| indole-5-carboxylic acid | [no description available] | low | 0 | 0 | indolecarboxylic acid | plant metabolite |
| 1,3,7,9-tetramethyluric acid | [no description available] | low | 0 | 0 | oxopurine;
purine alkaloid | analgesic;
anti-inflammatory agent;
human xenobiotic metabolite;
plant metabolite |
| phenylalanylleucine | [no description available] | low | 0 | 0 | dipeptide zwitterion;
dipeptide | plant metabolite |
| ethyl protocatechuate | [no description available] | low | 0 | 0 | catechols;
ethyl ester | antibacterial agent;
antioxidant;
apoptosis inducer;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
plant metabolite |
| 3,5-dimethoxytoluene | [no description available] | low | 0 | 0 | methoxybenzenes;
toluenes | fragrance;
plant metabolite |
| methylthioethanol | [no description available] | low | 0 | 0 | aliphatic sulfide;
primary alcohol | plant metabolite;
xenobiotic metabolite |
| cryptolepine | [no description available] | low | 0 | 0 | indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound | anti-inflammatory agent;
antimalarial;
antineoplastic agent;
cysteine protease inhibitor;
plant metabolite |
| alpha-bergamotene | [no description available] | low | 0 | 0 | bridged compound;
polycyclic olefin;
sesquiterpene | plant metabolite;
volatile oil component |
| loganin | [no description available] | low | 0 | 0 | beta-D-glucoside;
cyclopentapyran;
enoate ester;
iridoid monoterpenoid;
methyl ester;
monosaccharide derivative;
secondary alcohol | anti-inflammatory agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor;
neuroprotective agent;
plant metabolite |
| 4-methyl-4-sulfanylpentan-2-one | [no description available] | low | 0 | 0 | alkanethiol;
methyl ketone | plant metabolite;
Saccharomyces cerevisiae metabolite |
| 5,7-dimethoxyflavone | [no description available] | low | 0 | 0 | dimethoxyflavone | plant metabolite |
| nicotine | [no description available] | low | 0 | 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 |
| loganic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
cyclopentapyran;
glucoside | plant metabolite |
| friedelin | [no description available] | low | 0 | 0 | cyclic terpene ketone;
pentacyclic triterpenoid | anti-inflammatory drug;
antipyretic;
non-narcotic analgesic;
plant metabolite |
| cholest-4-en-3-one | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid;
cholestanoid | human metabolite;
plant metabolite |
| delta-tocopherol | [no description available] | low | 0 | 0 | tocopherol;
vitamin E | food antioxidant;
plant metabolite |
| cycloartenol | [no description available] | low | 0 | 0 | 3beta-sterol;
pentacyclic triterpenoid;
phytosterols | plant metabolite |
| beta-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols | antineoplastic agent;
plant metabolite |
| elemol | [no description available] | low | 0 | 0 | olefinic compound;
sesquiterpenoid;
tertiary alcohol | fragrance;
plant metabolite |
| spathulenol | [no description available] | low | 0 | 0 | carbotricyclic compound;
olefinic compound;
sesquiterpenoid;
tertiary alcohol | anaesthetic;
plant metabolite;
vasodilator agent;
volatile oil component |
| mor-14 | [no description available] | low | 0 | 0 | hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound | anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite |
| vestitol | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | anti-inflammatory agent;
phytoalexin;
plant metabolite |
| gamma-tocopherol | [no description available] | low | 0 | 0 | tocopherol;
vitamin E | algal metabolite;
food antioxidant;
plant metabolite |
| orotidine | [no description available] | low | 0 | 0 | nucleoside;
pyrimidinemonocarboxylic acid;
uridines | bacterial metabolite;
fungal metabolite;
plant metabolite |
| sugiol | [no description available] | low | 0 | 0 | abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols | antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger |
| erythrose | [no description available] | low | 0 | 0 | erythrose | plant metabolite |
| 24-methylene cycloartanol | [no description available] | low | 0 | 0 | 3beta-hydroxy steroid;
pentacyclic triterpenoid | plant metabolite |
| panose | [no description available] | low | 0 | 0 | trisaccharide | plant metabolite |
| bursehernin | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
butan-4-olide;
lignan | plant metabolite |
| sesaminol | [no description available] | low | 0 | 0 | benzodioxoles;
furofuran;
organic hydroxy compound | antioxidant;
plant metabolite |
| 4',5,6,7-tetramethoxyflavone | [no description available] | low | 0 | 0 | tetramethoxyflavone | antimutagen;
plant metabolite |
| gardenin b | [no description available] | low | 0 | 0 | monohydroxyflavone;
tetramethoxyflavone | plant metabolite |
| quercetin 5,7,3',4'-tetramethyl ether | [no description available] | low | 0 | 0 | flavonols;
tetramethoxyflavone | plant metabolite |
| 1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid | [no description available] | low | 0 | 0 | alpha-amino acid;
aromatic amino acid;
beta-carboline alkaloid | human urinary metabolite;
human xenobiotic metabolite;
plant metabolite;
rat metabolite |
| sarsasapogenin, (3beta,5alpha,25r)-isomer | [no description available] | low | 0 | 0 | sapogenin | gout suppressant;
plant metabolite |
| syringaresinol | [no description available] | low | 0 | 0 | aromatic ether;
furofuran;
lignan;
polyether;
polyphenol | plant metabolite |
| cyclolaudenol | [no description available] | low | 0 | 0 | 3beta-hydroxy steroid;
pentacyclic triterpenoid | plant metabolite |
| galgravin | [no description available] | low | 0 | 0 | aryltetrahydrofuran;
dimethoxybenzene;
lignan;
ring assembly | bone density conservation agent;
neuroprotective agent;
plant metabolite;
platelet aggregation inhibitor |
| erythrodiol | [no description available] | low | 0 | 0 | diol;
pentacyclic triterpenoid;
primary alcohol;
secondary alcohol | plant metabolite |
| 6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol | [no description available] | low | 0 | 0 | carbobicyclic compound;
pinane monoterpenoid;
secondary alcohol | GABA modulator;
mouse metabolite;
plant metabolite;
volatile oil component |
| selenomethionine | [no description available] | low | 0 | 0 | amino acid zwitterion;
selenomethionine | plant metabolite |
| deguelin | [no description available] | low | 0 | 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 |
| 1,9-dideoxyforskolin | [no description available] | low | 0 | 0 | acetate ester;
labdane diterpenoid;
organic heterotricyclic compound | plant metabolite |
| daidzin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative | plant metabolite |
| triptolide | [no description available] | low | 0 | 0 | diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound | antispermatogenic agent;
plant metabolite |
| indospicine | [no description available] | low | 0 | 0 | carboxamidine;
non-proteinogenic L-alpha-amino acid | hepatotoxic agent;
plant metabolite |
| cafestol | [no description available] | low | 0 | 0 | diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite |
| nimbin | [no description available] | low | 0 | 0 | acetate ester;
cyclic terpene ketone;
enone;
furans;
limonoid;
methyl ester;
tetracyclic triterpenoid | pesticide;
plant metabolite |
| neoeriocitrin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
neohesperidoside;
trihydroxyflavanone | plant metabolite |
| kahweol | [no description available] | low | 0 | 0 | diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite |
| valerates | [no description available] | low | 0 | 0 | short-chain fatty acid anion;
straight-chain saturated fatty acid anion | plant metabolite |
| liquiritigenin | [no description available] | low | 0 | 0 | 4',7-dihydroxyflavanone | hormone agonist;
plant metabolite |
| s-sulphocysteine | [no description available] | low | 0 | 0 | organic thiosulfate;
S-substituted L-cysteine | human metabolite;
plant metabolite |
| megestrol acetate | [no description available] | low | 0 | 0 | bridged compound;
organic heterotetracyclic compound;
secondary alcohol;
sesquiterpene lactone;
spiro compound;
tertiary alcohol;
tetrol | GABA antagonist;
neurotoxin;
phytogenic insecticide;
plant metabolite |
| stachydrine | [no description available] | low | 0 | 0 | alkaloid;
amino-acid betaine;
N-methyl-L-alpha-amino acid | food component;
human blood serum metabolite;
plant metabolite |
| echinuline | [no description available] | low | 0 | 0 | 2,5-diketopiperazines;
indole alkaloid;
indoles;
olefinic compound | Aspergillus metabolite;
marine metabolite;
plant metabolite |
| cubebin | [no description available] | low | 0 | 0 | benzodioxoles;
cyclic acetal;
lactol;
lignan;
secondary alcohol | analgesic;
anti-inflammatory agent;
antimicrobial agent;
histamine antagonist;
plant metabolite;
trypanocidal drug |
| 1'-acetoxychavicol acetate | [no description available] | low | 0 | 0 | acetate ester;
phenylpropanoid | antineoplastic agent;
NF-kappaB inhibitor;
plant metabolite |
| hydrangenol | [no description available] | low | 0 | 0 | dihydroisocoumarins;
phenols | anti-allergic agent;
plant metabolite |
| matairesinol | [no description available] | low | 0 | 0 | gamma-lactone;
lignan;
polyphenol | angiogenesis inhibitor;
anti-asthmatic agent;
phytoestrogen;
plant metabolite |
| astilbin | [no description available] | low | 0 | 0 | 3'-hydroxyflavanones;
4'-hydroxyflavanones;
alpha-L-rhamnoside;
flavanone glycoside;
monosaccharide derivative;
tetrahydroxyflavanone | anti-inflammatory agent;
plant metabolite;
radical scavenger |
| ginsenoside rh2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
20-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid | antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
hepatoprotective agent;
plant metabolite |
| mannopine | [no description available] | low | 0 | 0 | amino acid opine;
dicarboxylic acid monoamide;
hexitol derivative;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound | plant metabolite |
| ribulose-1,5 diphosphate | [no description available] | low | 0 | 0 | ribulose phosphate | Escherichia coli metabolite;
plant metabolite |
| swertisin | [no description available] | low | 0 | 0 | dihydroxyflavone;
flavone C-glycoside;
monomethoxyflavone;
monosaccharide derivative;
polyphenol | adenosine A1 receptor antagonist;
anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
plant metabolite |
| senegalensin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone | antibacterial agent;
plant metabolite |
| glabranin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
dihydroxyflavanone | plant metabolite |
| rubiadin | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | antibacterial agent;
antioxidant;
hepatoprotective agent;
plant metabolite |
| soranjidiol | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | antibacterial agent;
plant metabolite |
| skullcapflavone ii | [no description available] | low | 0 | 0 | dihydroxyflavone;
tetramethoxyflavone | anti-asthmatic drug;
plant metabolite |
| rubimaillin | [no description available] | low | 0 | 0 | benzochromene;
methyl ester;
phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite |
| tiglic acid | [no description available] | low | 0 | 0 | 2-methylbut-2-enoic acid | plant metabolite |
| psorospermin | [no description available] | low | 0 | 0 | epoxide;
organic heterotetracyclic compound;
xanthones | antineoplastic agent;
plant metabolite |
| delphinidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent;
biological pigment;
plant metabolite |
| sinensetin | [no description available] | low | 0 | 0 | pentamethoxyflavone | plant metabolite |
| n-methylserotonin | [no description available] | low | 0 | 0 | phenols;
tryptamines | human metabolite;
plant metabolite |
| lyxonic acid | [no description available] | low | 0 | 0 | lyxonic acid | plant metabolite |
| kolaviron | [no description available] | low | 0 | 0 | 4'-methoxyflavanones;
biflavonoid;
dihydroflavonols;
ring assembly;
secondary alpha-hydroxy ketone | hepatoprotective agent;
plant metabolite |
| spinosin | [no description available] | low | 0 | 0 | dihydroxyflavone;
flavone C-glycoside;
monomethoxyflavone | anxiolytic drug;
plant metabolite |
| schizandrin b | [no description available] | low | 0 | 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 |
| acrovestone | [no description available] | low | 0 | 0 | acetophenones;
aromatic ether;
olefinic compound;
polyphenol | antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
| cirsiliol | [no description available] | low | 0 | 0 | dimethoxyflavone;
trihydroxyflavone | plant metabolite |
| isosakuranetin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone | plant metabolite |
| matteucinol | [no description available] | low | 0 | 0 | 4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone | plant metabolite;
radical scavenger |
| guvacoline | [no description available] | low | 0 | 0 | alpha,beta-unsaturated carboxylic ester;
beta-amino acid ester;
enoate ester;
methyl ester;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine | muscarinic agonist;
plant metabolite |
| corytuberine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound | plant metabolite |
| actinodaphine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound | antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor |
| ar-turmerone | [no description available] | low | 0 | 0 | enone;
sesquiterpenoid | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
plant metabolite |
| isolariciresinol | [no description available] | low | 0 | 0 | guaiacols;
lignan;
polyphenol;
primary alcohol | plant metabolite |
| 4'-demethyldesoxypodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols | antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite |
| t-cadinol | [no description available] | low | 0 | 0 | cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol | plant metabolite;
volatile oil component |
| 1-hydroxy-2-methylanthraquinone | [no description available] | low | 0 | 0 | monohydroxyanthraquinone | plant metabolite |
| nevadensin | [no description available] | low | 0 | 0 | dihydroxyflavone;
trimethoxyflavone | plant metabolite |
| salvigenin | [no description available] | low | 0 | 0 | monohydroxyflavone;
trimethoxyflavone | antilipemic drug;
antineoplastic agent;
apoptosis inhibitor;
autophagy inducer;
hypoglycemic agent;
immunomodulator;
neuroprotective agent;
plant metabolite |
| secologanin | [no description available] | low | 0 | 0 | aldehyde;
beta-D-glucoside;
enoate ester;
methyl ester;
pyrans;
secoiridoid glycoside | plant metabolite |
| columbianetin acetate | [no description available] | low | 0 | 0 | acetate ester;
furanocoumarin | plant metabolite |
| maprounic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | HIV-1 reverse transcriptase inhibitor;
plant metabolite |
| acetyl aleuritolic acid | [no description available] | low | 0 | 0 | acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid | antineoplastic agent;
plant metabolite |
| myricanone | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols | antineoplastic agent;
plant metabolite |
| glycyrrhetyl 3-monoglucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid;
enone;
monosaccharide derivative;
oxo dicarboxylic acid;
pentacyclic triterpenoid;
triterpenoid saponin | anti-allergic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human xenobiotic metabolite;
plant metabolite;
sweetening agent |
| hydroxysitosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid | metabolite;
plant metabolite |
| capsidiol | [no description available] | low | 0 | 0 | eremophilane sesquiterpenoid;
octahydronaphthalenes;
sesquiterpene phytoalexin | antifungal agent;
plant metabolite |
| phaseollin (isoflavan) | [no description available] | low | 0 | 0 | hydroxyisoflavans | plant metabolite |
| cirsilineol | [no description available] | low | 0 | 0 | dihydroxyflavone;
trimethoxyflavone | antineoplastic agent;
plant metabolite |
| secoxyloganin | [no description available] | low | 0 | 0 | beta-D-glucoside;
dicarboxylic acid monoester;
enoate ester;
methyl ester;
monosaccharide derivative;
pyrans;
secoiridoid glycoside | anti-allergic agent;
antioxidant;
plant metabolite |
| sclareol | [no description available] | low | 0 | 0 | labdane diterpenoid | antifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite |
| butrin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones;
flavanone glycoside;
monohydroxyflavanone | anti-inflammatory agent;
plant metabolite |
| diplopterol | [no description available] | low | 0 | 0 | hopanoid;
pentacyclic triterpenoid;
tertiary alcohol | plant metabolite |
| anacardic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
hydroxybenzoic acid | anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite |
| confertin | [no description available] | low | 0 | 0 | cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
pseudoguaianolide | anti-inflammatory agent;
metabolite;
plant metabolite |
| pluviatolide | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols | plant metabolite |
| pectolinarin | [no description available] | low | 0 | 0 | dimethoxyflavone;
disaccharide derivative;
glycosyloxyflavone;
monohydroxyflavanone;
rutinoside | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite |
| albicanol | [no description available] | low | 0 | 0 | carbobicyclic compound;
homoallylic alcohol;
primary alcohol;
sesquiterpenoid | antifeedant;
antifungal agent;
antineoplastic agent;
fungal metabolite;
mammalian metabolite;
marine metabolite;
plant metabolite |
| inuviscolide | [no description available] | low | 0 | 0 | gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone;
tertiary alcohol | anti-inflammatory agent;
plant metabolite |
| helioxanthin | [no description available] | low | 0 | 0 | benzodioxoles;
furonaphthodioxole;
lignan | anti-HBV agent;
antineoplastic agent;
plant metabolite |
| (2S)-5,7-dihydroxy-6,8-dimethylflavanone | [no description available] | low | 0 | 0 | dihydroxyflavanone | EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite |
| medioresinol | [no description available] | low | 0 | 0 | dimethoxybenzene;
furofuran;
lignan;
polyphenol | plant metabolite |
| 5-heptadecylresorcinol | [no description available] | low | 0 | 0 | 5-alkylresorcinol | antineoplastic agent;
plant metabolite |
| (+)-epicatechin | [no description available] | low | 0 | 0 | catechin;
polyphenol | cyclooxygenase 1 inhibitor;
plant metabolite |
| kobusin | [no description available] | low | 0 | 0 | benzodioxoles;
dimethoxybenzene;
furofuran;
lignan | plant metabolite |
| nootkatol | [no description available] | low | 0 | 0 | 6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol | plant metabolite |
| 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 |
| dihydroresveratrol | [no description available] | low | 0 | 0 | stilbenol | plant metabolite;
xenobiotic metabolite |
| glycitin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
methoxyisoflavone;
monosaccharide derivative | plant metabolite |
| benzyl d-glucopyranoside | [no description available] | low | 0 | 0 | benzenes;
beta-D-glucoside | plant metabolite |
| chrysosplenol c | [no description available] | low | 0 | 0 | trihydroxyflavone;
trimethoxyflavone | antineoplastic agent;
antiviral agent;
plant metabolite |
| 5-o-methyllicoricidin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | antibacterial agent;
plant metabolite |
| (-)-gallocatechin gallate | [no description available] | low | 0 | 0 | catechin;
gallate ester;
polyphenol | antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
| pronuciferine | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
isoquinoline alkaloid;
isoquinolines;
organic heterotetracyclic compound | plant metabolite |
| santonin | [no description available] | low | 0 | 0 | botanical anti-fungal agent;
santonin | plant metabolite |
| sandaracopimaric acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pimarane diterpenoid;
tricyclic diterpenoid | plant metabolite |
| sitosterol, (3beta)-isomer | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol | anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor |
| erythritol | [no description available] | low | 0 | 0 | butane-1,2,3,4-tetrol | antioxidant;
human metabolite;
plant metabolite |
| stigmastanol | [no description available] | low | 0 | 0 | 3-hydroxy steroid;
phytosterols | anticholesteremic drug;
plant metabolite |
| vincaleukoblastine | [no description available] | low | 0 | 0 | acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite |
| 3-octanone | [no description available] | low | 0 | 0 | dialkyl ketone | antifeedant;
biomarker;
fungal metabolite;
human urinary metabolite;
insect attractant;
plant metabolite;
toxin |
| lanosterol | [no description available] | low | 0 | 0 | 14alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid | bacterial metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| lupeol | [no description available] | low | 0 | 0 | pentacyclic triterpenoid;
secondary alcohol | anti-inflammatory drug;
plant metabolite |
| noscapine | [no description available] | low | 0 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound | antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite |
| aromaticin | [no description available] | low | 0 | 0 | cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone | anti-inflammatory agent;
metabolite;
plant metabolite |
| methyl 3,4-dihydroxybenzoate | [no description available] | low | 0 | 0 | catechols;
methyl ester | antioxidant;
neuroprotective agent;
plant metabolite |
| 2-hydroxy-1,4-benzoxazin-3-one | [no description available] | low | 0 | 0 | benzoxazine;
lactam;
lactol | allelochemical;
plant metabolite |
| menthofuran | [no description available] | low | 0 | 0 | 1-benzofurans;
monoterpenoid | nematicide;
plant metabolite |
| lariciresinol | [no description available] | low | 0 | 0 | aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol | antifungal agent;
plant metabolite |
| medicarpin | [no description available] | low | 0 | 0 | medicarpin | plant metabolite |
| anthricin | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes | antineoplastic agent;
apoptosis inducer;
plant metabolite |
| indole-3-acetonitrile | [no description available] | low | 0 | 0 | indoles;
nitrile | auxin;
human xenobiotic metabolite;
plant hormone;
plant metabolite |
| taiwanin c | [no description available] | low | 0 | 0 | benzodioxoles;
furonaphthodioxole;
lignan | antineoplastic agent;
plant metabolite;
platelet aggregation inhibitor |
| sampangine | [no description available] | low | 0 | 0 | alkaloid;
organic heterotetracyclic compound | antifungal agent;
plant metabolite |
| isochamaejasmin | [no description available] | low | 0 | 0 | biflavonoid;
hydroxyflavone | plant metabolite |
| norbelladine | [no description available] | low | 0 | 0 | catechols;
phenethylamine alkaloid;
polyphenol;
secondary amino compound | plant metabolite |
| canavanine | [no description available] | low | 0 | 0 | amino acid zwitterion;
non-proteinogenic L-alpha-amino acid | phytogenic insecticide;
plant metabolite |
| raffinose | [no description available] | low | 0 | 0 | raffinose family oligosaccharide;
trisaccharide | mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| naringenin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
naringenin | expectorant;
plant metabolite |
| 5-hydroxytryptophan | [no description available] | low | 0 | 0 | 5-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid | human metabolite;
mouse metabolite;
plant metabolite |
| theanine | [no description available] | low | 0 | 0 | amino acid zwitterion;
N(5)-alkyl-L-glutamine | geroprotector;
neuroprotective agent;
plant metabolite |
| ouabain | [no description available] | low | 0 | 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 |
| scopolin | [no description available] | low | 0 | 0 | beta-D-glucoside;
coumarins;
monosaccharide derivative | plant metabolite |
| stachyose | [no description available] | low | 0 | 0 | raffinose family oligosaccharide;
tetrasaccharide | mouse metabolite;
plant metabolite |
| isomaltulose | [no description available] | low | 0 | 0 | glycosylfructose | animal metabolite;
plant metabolite;
sweetening agent |
| discretamine | [no description available] | low | 0 | 0 | berberine alkaloid;
organic heterotetracyclic compound | EC 5.99.1.2 (DNA topoisomerase) inhibitor;
plant metabolite |
| mimosine | [no description available] | low | 0 | 0 | 4-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid | EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
| pelargonidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | plant metabolite |
| (+)-limonene | [no description available] | low | 0 | 0 | limonene | plant metabolite |
| hygrine | [no description available] | low | 0 | 0 | 1-(1-methylpyrrolidin-2-yl)acetone;
pyrrolidine alkaloid | plant metabolite |
| arbutin | [no description available] | low | 0 | 0 | beta-D-glucoside;
monosaccharide derivative | Escherichia coli metabolite;
plant metabolite |
| conessine | [no description available] | low | 0 | 0 | steroid alkaloid;
tertiary amino compound | antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite |
| canaline | [no description available] | low | 0 | 0 | amino acid zwitterion;
non-proteinogenic L-alpha-amino acid | antimetabolite;
antineoplastic agent;
phytogenic insecticide;
plant metabolite |
| norpseudoephedrine | [no description available] | low | 0 | 0 | amphetamines;
phenethylamine alkaloid | central nervous system stimulant;
plant metabolite;
psychotropic drug |
| sophoranone | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones;
dihydroxyflavanone | plant metabolite |
| petunidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | plant metabolite |
| glaucarubinone | [no description available] | low | 0 | 0 | carboxylic ester;
organic heteropentacyclic compound;
quassinoid;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone;
tetrol | antimalarial;
antineoplastic agent;
geroprotector;
plant metabolite |
| helveticoside | [no description available] | low | 0 | 0 | 14beta-hydroxy steroid;
5beta-hydroxy steroid;
cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid aldehyde;
steroid lactone | antineoplastic agent;
apoptosis inducer;
plant metabolite |
| ginsenoside re | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
nephroprotective agent;
neuroprotective agent;
plant metabolite |
| ginsenoside rf | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
20-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid | antineoplastic agent;
apoptosis inducer;
plant metabolite |
| 3-o-(alpha-l-arabinopyranosyl)hederagenin | [no description available] | low | 0 | 0 | alpha-L-arabinopyranoside;
hydroxy monocarboxylic acid;
monosaccharide derivative;
pentacyclic triterpenoid;
triterpenoid saponin | plant metabolite |
| notoginsenoside r1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid | antioxidant;
apoptosis inducer;
neuroprotective agent;
phytoestrogen;
plant metabolite |
| 2-(2-phenylethyl)chromone | [no description available] | low | 0 | 0 | benzenes;
chromones | plant metabolite |
| ferruginol | [no description available] | low | 0 | 0 | abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols | antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent |
| stevioside | [no description available] | low | 0 | 0 | beta-D-glucoside;
bridged compound;
diterpene glycoside;
ent-kaurane diterpenoid;
tetracyclic diterpenoid | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
hypoglycemic agent;
plant metabolite;
sweetening agent |
| lenticin | [no description available] | low | 0 | 0 | amino-acid betaine;
indole alkaloid;
L-tryptophan derivative | fungal metabolite;
plant metabolite;
xenobiotic |
| absynthin | [no description available] | low | 0 | 0 | organic heteroheptacyclic compound;
sesquiterpene lactone;
triterpenoid | anti-inflammatory agent;
plant metabolite |
| abyssinone i | [no description available] | low | 0 | 0 | monohydroxyflavanone;
phenols | apoptosis inhibitor;
plant metabolite |
| afzelechin | [no description available] | low | 0 | 0 | catechin;
tetrahydroxyflavan | EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite |
| asebogenin | [no description available] | low | 0 | 0 | dihydrochalcones | plant metabolite |
| lactucin | [no description available] | low | 0 | 0 | azulenofuran;
cyclic terpene ketone;
enone;
primary alcohol;
secondary alcohol;
sesquiterpene lactone | antimalarial;
plant metabolite;
sedative |
| picrotin | [no description available] | low | 0 | 0 | diol;
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol | plant metabolite |
| picrotoxinin | [no description available] | low | 0 | 0 | epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol | GABA antagonist;
plant metabolite;
serotonergic antagonist |
| solavetivone | [no description available] | low | 0 | 0 | cyclic ketone;
sesquiterpenoid;
spiro compound | phytoalexin;
plant metabolite |
| thujopsene | [no description available] | low | 0 | 0 | thujopsene | plant metabolite |
| agnuside | [no description available] | low | 0 | 0 | benzoate ester;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
phenols;
terpene glycoside | anti-inflammatory agent;
cyclooxygenase 2 inhibitor;
plant metabolite;
pro-angiogenic agent |
| dolichodial | [no description available] | low | 0 | 0 | dialdehyde;
iridoid monoterpenoid;
olefinic compound | animal metabolite;
plant metabolite;
volatile oil component |
| theasinensin a | [no description available] | low | 0 | 0 | biflavonoid;
gallate ester;
proanthocyanidin | anti-inflammatory agent;
anticoronaviral agent;
apoptosis inducer;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
melanin synthesis inhibitor;
plant metabolite |
| 5,6,7-trimethoxyflavone | [no description available] | low | 0 | 0 | trimethoxyflavone | anti-HSV-1 agent;
plant metabolite |
| ammodendrine | [no description available] | low | 0 | 0 | acetamides;
N-acylpiperidine;
piperidine alkaloid | plant metabolite;
teratogenic agent |
| carpaine | [no description available] | low | 0 | 0 | alkaloid;
macrodiolide | cardiovascular drug;
plant metabolite |
| myosmine | [no description available] | low | 0 | 0 | pyridine alkaloid;
pyrroline | EC 1.14.14.14 (aromatase) inhibitor;
mutagen;
plant metabolite |
| dihydropinosylvin | [no description available] | low | 0 | 0 | diphenylethane;
resorcinols | EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
| gingerol | [no description available] | low | 0 | 0 | beta-hydroxy ketone;
guaiacols | antineoplastic agent;
plant metabolite |
| mucronulatol | [no description available] | low | 0 | 0 | hydroxyisoflavans;
methoxyisoflavan | antineoplastic agent;
plant metabolite |
| ononin | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones 7-O-beta-D-glucoside;
monosaccharide derivative | plant metabolite |
| yatein | [no description available] | low | 0 | 0 | benzodioxoles;
butan-4-olide;
lignan;
methoxybenzenes | plant metabolite |
| solasodine | [no description available] | low | 0 | 0 | alkaloid antibiotic;
azaspiro compound;
hemiaminal ether;
oxaspiro compound;
sapogenin;
steroid alkaloid | anticonvulsant;
antifungal agent;
antiinfective agent;
antioxidant;
antipyretic;
antispermatogenic agent;
apoptosis inducer;
cardiotonic drug;
central nervous system depressant;
diuretic;
immunomodulator;
plant metabolite;
teratogenic agent |
| 1-alpha-terpineol | [no description available] | low | 0 | 0 | alpha-terpineol | plant metabolite |
| 7-deoxyloganic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
monoterpene glycoside | plant metabolite |
| epiafzelechin | [no description available] | low | 0 | 0 | catechin | plant metabolite |
| maleic acid | [no description available] | low | 0 | 0 | butenedioic acid | algal metabolite;
mouse metabolite;
plant metabolite |
| e-z cinnamic acid | [no description available] | low | 0 | 0 | cinnamic acid | plant metabolite |
| farnesol | [no description available] | low | 0 | 0 | farnesol | plant metabolite |
| resveratrol | [no description available] | low | 0 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
| retinol | [no description available] | low | 0 | 0 | retinol;
vitamin A | human metabolite;
mouse metabolite;
plant metabolite |
| oleic acid | [no description available] | low | 0 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
| ferulic acid | [no description available] | low | 0 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
| cocaine | [no description available] | low | 0 | 0 | benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid | adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| lycopene | [no description available] | low | 0 | 0 | acyclic carotene | antioxidant;
plant metabolite |
| benzoylecgonine | [no description available] | low | 0 | 0 | benzoate ester;
tropane alkaloid | epitope;
human xenobiotic metabolite;
marine xenobiotic metabolite;
plant metabolite |
| zeatin | [no description available] | low | 0 | 0 | zeatin | plant metabolite |
| gamma-sitosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols | marine metabolite;
plant metabolite |
| costatolide | [no description available] | low | 0 | 0 | cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol | HIV-1 reverse transcriptase inhibitor;
plant metabolite |
| euscaphic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid;
triol | plant metabolite |
| cinnamtannin b-1 | [no description available] | low | 0 | 0 | proanthocyanidin | cyclooxygenase 2 inhibitor;
plant metabolite |
| meso-dihydroguaiaretic acid | [no description available] | low | 0 | 0 | guaiacols;
lignan | plant metabolite |
| 8-prenylnaringenin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone | plant metabolite;
platelet aggregation inhibitor |
| gancaonin I | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
resorcinols | antibacterial agent;
plant metabolite |
| 6,8-diprenylgenistein | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antibacterial agent;
plant metabolite |
| glycyrin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins;
hydroxyisoflavans | antibacterial agent;
metabolite;
plant metabolite |
| glyasperin D | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | plant metabolite |
| licoricidin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | antibacterial agent;
plant metabolite |
| pallidol | [no description available] | low | 0 | 0 | carbopolycyclic compound;
polyphenol;
stilbenoid | antifungal agent;
antioxidant;
plant metabolite |
| egonol | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
benzodioxoles;
primary alcohol | plant metabolite |
| 23-hydroxytormentic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid;
tetrol | anti-inflammatory agent;
plant metabolite |
| riboflavin | [no description available] | low | 0 | 0 | flavin;
vitamin B2 | anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite |
| licocoumarone | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
resorcinols | antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| likviriton | [no description available] | low | 0 | 0 | beta-D-glucoside;
flavanone glycoside;
monohydroxyflavanone;
monosaccharide derivative | anti-inflammatory agent;
anticoronaviral agent;
plant metabolite |
| sodium benzoate | [no description available] | low | 0 | 0 | organic sodium salt | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
| 3-mercaptohexanol | [no description available] | low | 0 | 0 | alkanethiol;
primary alcohol | flavouring agent;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| 3'-methoxyflavone | [no description available] | low | 0 | 0 | 3'-methoxyflavones | plant metabolite |
| piperlactam s | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols | anti-inflammatory agent;
antioxidant;
plant metabolite |
| piperyline | [no description available] | low | 0 | 0 | benzodioxoles;
N-acylpyrrolidine;
pyrrolidine alkaloid;
tertiary carboxamide | antifungal agent;
apoptosis inducer;
plant metabolite |
| crotonic acid | [no description available] | low | 0 | 0 | 2-butenoic acid | plant metabolite |
| rhapontin | [no description available] | low | 0 | 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 |
| cinnamaldehyde | [no description available] | low | 0 | 0 | 3-phenylprop-2-enal;
cinnamaldehydes | antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent |
| methyl cinnamate | [no description available] | low | 0 | 0 | methyl cinnamate | antibacterial agent;
fungal metabolite;
nematicide;
plant metabolite |
| trans-4-coumaric acid | [no description available] | low | 0 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
| 2,4-hexadienal | [no description available] | low | 0 | 0 | hexadienal;
polyunsaturated fatty aldehyde;
volatile organic compound | flavouring agent;
plant metabolite |
| geraniol | [no description available] | low | 0 | 0 | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component |
| epipinoresinol | [no description available] | low | 0 | 0 | pinoresinol | marine metabolite;
plant metabolite |
| sinapinic acid | [no description available] | low | 0 | 0 | sinapic acid | MALDI matrix material;
plant metabolite |
| citral | [no description available] | low | 0 | 0 | enal;
monoterpenoid;
polyprenal | plant metabolite;
volatile oil component |
| squalene | [no description available] | low | 0 | 0 | triterpene | human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| coumestan | [no description available] | low | 0 | 0 | coumestans;
delta-lactone | phytoestrogen;
plant metabolite |
| antofine | [no description available] | low | 0 | 0 | alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound | angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite |
| p-hydroxycinnamaldehyde | [no description available] | low | 0 | 0 | cinnamaldehydes | apoptosis inducer;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
plant metabolite |
| n-methylproline | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion;
L-proline derivative;
tertiary amino compound | human metabolite;
plant metabolite |
| vedelianin | [no description available] | low | 0 | 0 | cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid | antineoplastic agent;
plant metabolite |
| pedilstatin | [no description available] | low | 0 | 0 | acetate ester;
phorbol ester;
primary allylic alcohol | plant metabolite |
| nerol | [no description available] | low | 0 | 0 | 3,7-dimethylocta-2,6-dien-1-ol | fragrance;
plant metabolite;
volatile oil component |
| cannabidiol | [no description available] | low | 0 | 0 | olefinic compound;
phytocannabinoid;
resorcinols | antimicrobial agent;
plant metabolite |
| amygdalin | [no description available] | low | 0 | 0 | amygdalin | antineoplastic agent;
apoptosis inducer;
plant metabolite |
| 3,3',4,5'-tetrahydroxystilbene | [no description available] | low | 0 | 0 | catechols;
polyphenol;
resorcinols;
stilbenol | antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor |
| dehydrovomifoliol | [no description available] | low | 0 | 0 | dehydrovomifoliol | plant metabolite |
| isoeugenol | [no description available] | low | 0 | 0 | isoeugenol | plant metabolite |
| cotinine | [no description available] | low | 0 | 0 | N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid | antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite |
| huperzine a | [no description available] | low | 0 | 0 | organic heterotricyclic compound;
primary amino compound;
pyridone;
sesquiterpene alkaloid | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent;
nootropic agent;
plant metabolite |
| nootkatone | [no description available] | low | 0 | 0 | carbobicyclic compound;
enone;
sesquiterpenoid | fragrance;
insect repellent;
plant metabolite |
| geranyl acetate | [no description available] | low | 0 | 0 | acetate ester;
monoterpenoid | plant metabolite |
| coniferyl alcohol | [no description available] | low | 0 | 0 | guaiacols;
phenylpropanoid | animal metabolite;
monolignol;
mouse metabolite;
pheromone;
plant metabolite;
volatile oil component |
| geranylacetone | [no description available] | low | 0 | 0 | monoterpene ketone | flavouring agent;
fragrance;
plant metabolite;
volatile oil component |
| aurapten | [no description available] | low | 0 | 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] | low | 0 | 0 | cinnamate ester;
tannin | food component;
plant metabolite |
| goitrin | [no description available] | low | 0 | 0 | 5-ethenyl-1,3-oxazolidine-2-thione | antiviral agent;
plant metabolite |
| 7-deacetylgedunin | [no description available] | low | 0 | 0 | cyclic terpene ketone;
delta-lactone;
enone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid | anti-inflammatory agent;
antimalarial;
metabolite;
plant metabolite |
| manool | [no description available] | low | 0 | 0 | labdane diterpenoid;
tertiary alcohol | antibacterial agent;
antineoplastic agent;
plant metabolite |
| 2-oxindole-3-acetic acid | [no description available] | low | 0 | 0 | indole-3-acetic acids;
monocarboxylic acid;
oxindoles | plant metabolite |
| bigelovin | [no description available] | low | 0 | 0 | acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone | antineoplastic agent;
apoptosis inducer;
immunomodulator;
plant metabolite |
| cyclanoline | [no description available] | low | 0 | 0 | berberine alkaloid;
quaternary ammonium ion | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
plant metabolite |
| sideroxylin | [no description available] | low | 0 | 0 | dihydroxyflavone;
monomethoxyflavone | plant metabolite |
| ladanein | [no description available] | low | 0 | 0 | dihydroxyflavone;
dimethoxyflavone | antiviral agent;
plant metabolite;
radical scavenger |
| t-muurolol | [no description available] | low | 0 | 0 | cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol | bacterial metabolite;
fungicide;
marine metabolite;
plant metabolite;
volatile oil component |
| alpha-carotene | [no description available] | low | 0 | 0 | carotenoid beta-end derivative;
cyclic carotene | plant metabolite;
provitamin A |
| citramalate | [no description available] | low | 0 | 0 | dicarboxylic acid dianion | human metabolite;
plant metabolite |
| fraxin | [no description available] | low | 0 | 0 | aromatic ether;
beta-D-glucoside;
hydroxycoumarin | anti-inflammatory agent;
hepatoprotective agent;
plant metabolite |
| decaprenoic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
methyl-branched fatty acid;
monoterpenoid;
polyunsaturated fatty acid | antifungal agent;
EC 1.14.18.1 (tyrosinase) inhibitor;
melanin synthesis inhibitor;
pheromone;
plant metabolite |
| gallocatechin-3-gallate | [no description available] | low | 0 | 0 | catechin;
gallate ester;
polyphenol | plant metabolite |
| quercetin | [no description available] | low | 0 | 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 |
| coniferin | [no description available] | low | 0 | 0 | aromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative | plant metabolite |
| biochanin a | [no description available] | low | 0 | 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] | low | 0 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | phytoestrogen;
plant metabolite |
| gibberellin a1 | [no description available] | low | 0 | 0 | C19-gibberellin;
gibberellin monocarboxylic acid;
lactone | plant metabolite |
| leukotriene a4 | [no description available] | low | 0 | 0 | epoxy fatty acid;
leukotriene;
long-chain fatty acid;
oxylipin;
polyunsaturated fatty acid | human metabolite;
mouse metabolite;
plant metabolite |
| sinapine | [no description available] | low | 0 | 0 | acylcholine | antioxidant;
photosynthetic electron-transport chain inhibitor;
plant metabolite |
| trans-phytol | [no description available] | low | 0 | 0 | diterpenoid;
long-chain primary fatty alcohol | algal metabolite;
plant metabolite;
schistosomicide drug |
| acacetin | [no description available] | low | 0 | 0 | dihydroxyflavone;
monomethoxyflavone | anticonvulsant;
plant metabolite |
| luteolin | [no description available] | low | 0 | 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 |
| linoleic acid | [no description available] | low | 0 | 0 | octadecadienoic acid;
omega-6 fatty acid | algal metabolite;
Daphnia galeata metabolite;
plant metabolite |
| quercitrin | [no description available] | low | 0 | 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] | low | 0 | 0 | hydroxycoumarin | plant growth regulator;
plant metabolite |
| beta carotene | [no description available] | low | 0 | 0 | carotenoid beta-end derivative;
cyclic carotene | antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A |
| leukotriene b4 | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid | human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent |
| coniferaldehyde | [no description available] | low | 0 | 0 | cinnamaldehydes;
guaiacols;
phenylpropanoid | antifungal agent;
plant metabolite |
| herbacetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
plant metabolite |
| 5'-o-caffeoylquinic acid | [no description available] | low | 0 | 0 | cinnamate ester;
cyclitol carboxylic acid | plant metabolite |
| luteolin-7-glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antioxidant;
plant metabolite |
| gossypetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | plant metabolite |
| ayanin | [no description available] | low | 0 | 0 | dihydroxyflavone;
trimethoxyflavone | plant metabolite |
| apiin | [no description available] | low | 0 | 0 | beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone | EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite |
| (all-e) phytoene | [no description available] | low | 0 | 0 | phytoene | plant metabolite |
| vitamin d 2 | [no description available] | low | 0 | 0 | hydroxy seco-steroid;
seco-ergostane;
vitamin D | bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide |
| stigmasterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols;
stigmastane sterol | plant metabolite |
| sinapaldehyde | [no description available] | low | 0 | 0 | cinnamaldehydes;
dimethoxybenzene;
phenols | antifungal agent;
plant metabolite |
| quercetin 3-o-glucopyranoside | [no description available] | low | 0 | 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 |
| 3-methylkaempferol | [no description available] | low | 0 | 0 | monomethoxyflavone;
trihydroxyflavone | plant metabolite |
| kaempferol | [no description available] | low | 0 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
| abscisic acid | [no description available] | low | 0 | 0 | 2-cis-abscisic acid | plant hormone;
plant metabolite |
| senecionine | [no description available] | low | 0 | 0 | lactone;
pyrrolizidine alkaloid;
tertiary alcohol | plant metabolite |
| gamma-linolenic acid | [no description available] | low | 0 | 0 | linolenic acid;
omega-6 fatty acid | human metabolite;
mouse metabolite;
plant metabolite |
| genistein | [no description available] | low | 0 | 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 |
| petroselinic acid | [no description available] | low | 0 | 0 | octadec-6-enoic acid | plant metabolite |
| cyclobenzaprine | [no description available] | low | 0 | 0 | 9,11,13-octadecatrienoic acid | antineoplastic agent;
plant metabolite |
| jasmonic acid | [no description available] | low | 0 | 0 | oxo monocarboxylic acid | jasmonates;
plant metabolite |
| 2-hexenal, z-isomer | [no description available] | low | 0 | 0 | 2-hexenal | antibacterial agent;
flavouring agent;
plant metabolite |
| aureusidin | [no description available] | low | 0 | 0 | hydroxyaurone | plant metabolite |
| butein | [no description available] | low | 0 | 0 | chalcones;
polyphenol | antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor |
| antheraxanthin | [no description available] | low | 0 | 0 | epoxycarotenol | biological pigment;
marine metabolite;
plant metabolite |
| astaxanthine | [no description available] | low | 0 | 0 | carotenol;
carotenone | animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite |
| capsanthin | [no description available] | low | 0 | 0 | carotenone | plant metabolite |
| gardenia yellow | [no description available] | low | 0 | 0 | diester;
disaccharide derivative;
diterpenoid | antioxidant;
food colouring;
histological dye;
plant metabolite |
| cryptoxanthins | [no description available] | low | 0 | 0 | carotenol | antioxidant;
biomarker;
plant metabolite;
provitamin A |
| lutein | [no description available] | low | 0 | 0 | carotenol | food colouring;
plant metabolite |
| hispidol | [no description available] | low | 0 | 0 | hydroxyaurone | plant metabolite |
| isobutrin | [no description available] | low | 0 | 0 | beta-D-glucoside;
chalcones;
monosaccharide derivative;
phenols | anti-inflammatory agent;
hepatoprotective agent;
plant metabolite |
| cassaine | [no description available] | low | 0 | 0 | enoate ester;
organic hydroxy compound;
tertiary amino compound;
tricyclic diterpenoid | antihypertensive agent;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
local anaesthetic;
plant metabolite;
poison |
| okanin | [no description available] | low | 0 | 0 | benzenetriol;
chalcones | plant metabolite |
| cucurbitacin i | [no description available] | low | 0 | 0 | cucurbitacin;
tertiary alpha-hydroxy ketone | antineoplastic agent;
plant metabolite |
| brassicasterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols | algal metabolite;
animal metabolite;
biomarker;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
human metabolite;
marine metabolite;
plant metabolite;
sterol biosynthesis inhibitor |
| harman | [no description available] | low | 0 | 0 | harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| esculetin | [no description available] | low | 0 | 0 | hydroxycoumarin | antioxidant;
plant metabolite;
ultraviolet filter |
| 7-hydroxycoumarin | [no description available] | low | 0 | 0 | hydroxycoumarin | fluorescent probe;
food component;
plant metabolite |
| eupatolide | [no description available] | low | 0 | 0 | gamma-lactone;
germacranolide;
homoallylic alcohol;
secondary alcohol | antineoplastic agent;
plant metabolite |
| petasin | [no description available] | low | 0 | 0 | alicyclic ketone;
enoate ester;
enone;
sesquiterpenoid | anti-allergic agent;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator;
plant metabolite;
vasodilator agent |
| oleuropein | [no description available] | low | 0 | 0 | beta-D-glucoside;
catechols;
diester;
methyl ester;
pyrans;
secoiridoid glycoside | anti-inflammatory agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
NF-kappaB inhibitor;
nutraceutical;
plant metabolite;
radical scavenger |
| amentoflavone | [no description available] | low | 0 | 0 | biflavonoid;
hydroxyflavone;
ring assembly | angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite |
| apigenin dimethylether | [no description available] | low | 0 | 0 | dimethoxyflavone;
monohydroxyflavone | plant metabolite |
| axillarin | [no description available] | low | 0 | 0 | dimethoxyflavone;
tetrahydroxyflavone | plant metabolite |
| azaleatin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone | plant metabolite |
| baicalein | [no description available] | low | 0 | 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] | low | 0 | 0 | 7-hydroxyflavonol;
dihydroxyflavone | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite |
| chrysosplenetin b | [no description available] | low | 0 | 0 | dihydroxyflavone;
tetramethoxyflavone | antiviral agent;
plant metabolite |
| diosmetin | [no description available] | low | 0 | 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 |
| fisetin | [no description available] | low | 0 | 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] | low | 0 | 0 | 7-hydroxyflavonol;
trihydroxyflavone | antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite |
| gossypin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol;
glycosyloxyflavone;
monosaccharide derivative;
pentahydroxyflavone | neuroprotective agent;
plant metabolite |
| euxanthone | [no description available] | low | 0 | 0 | phenols;
xanthones | metabolite;
plant metabolite |
| gartanin | [no description available] | low | 0 | 0 | polyphenol;
xanthones | antineoplastic agent;
plant metabolite |
| gentiacaulein | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | plant metabolite |
| gentisein | [no description available] | low | 0 | 0 | polyphenol;
xanthones | plant metabolite |
| gentisin | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | plant metabolite |
| isogentisin | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| hyperoside | [no description available] | low | 0 | 0 | beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone | hepatoprotective agent;
plant metabolite |
| mangiferin | [no description available] | low | 0 | 0 | C-glycosyl compound;
xanthones | anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
plant metabolite |
| mangostin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| 1,8-dihydroxy-3,7-dimethoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | plant metabolite |
| norathyriol | [no description available] | low | 0 | 0 | polyphenol;
xanthones | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite |
| 1,2,8-trihydroxy-6-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | antioxidant;
plant metabolite |
| kuwanon g | [no description available] | low | 0 | 0 | resorcinols;
tetrahydroxyflavone | anti-inflammatory agent;
plant metabolite |
| kuwanon h | [no description available] | low | 0 | 0 | resorcinols;
tetrahydroxyflavone | plant metabolite |
| morusin | [no description available] | low | 0 | 0 | extended flavonoid;
trihydroxyflavone | antineoplastic agent;
plant metabolite |
| myricetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite |
| myricitrin | [no description available] | low | 0 | 0 | alpha-L-rhamnoside;
glycosyloxyflavone;
monosaccharide derivative;
pentahydroxyflavone | anti-allergic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite |
| pachypodol | [no description available] | low | 0 | 0 | dihydroxyflavone;
trimethoxyflavone | antiemetic;
plant metabolite |
| quercetagetin | [no description available] | low | 0 | 0 | flavonols;
hexahydroxyflavone | antioxidant;
antiviral agent;
plant metabolite |
| robinetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | plant metabolite |
| robinin | [no description available] | low | 0 | 0 | dihydroxyflavone;
glycosyloxyflavone | plant metabolite |
| santin | [no description available] | low | 0 | 0 | dihydroxyflavone;
trimethoxyflavone | plant metabolite |
| wogonin | [no description available] | low | 0 | 0 | dihydroxyflavone;
monomethoxyflavone | angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite |
| 7-hydroxy-6,4'-dimethoxyisoflavone | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | plant metabolite |
| coumestrol | [no description available] | low | 0 | 0 | coumestans;
delta-lactone;
polyphenol | anti-inflammatory agent;
antioxidant;
plant metabolite |
| daidzein | [no description available] | low | 0 | 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 |
| pterostilbene | [no description available] | low | 0 | 0 | diether;
methoxybenzenes;
stilbenol | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger |
| genistein-8-c-glucoside | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones;
C-glycosyl compound | plant metabolite |
| 5-o-caffeoylshikimic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
carboxylic ester;
catechols;
cyclohexenecarboxylic acid | plant metabolite |
| cynarine | [no description available] | low | 0 | 0 | alkyl caffeate ester;
quinic acid | plant metabolite |
| iridin | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative | plant metabolite |
| rosmarinic acid | [no description available] | low | 0 | 0 | rosmarinic acid | geroprotector;
plant metabolite |
| acteoside | [no description available] | low | 0 | 0 | catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol | anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite |
| orobol | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | anti-inflammatory agent;
fungal metabolite;
plant metabolite;
radical scavenger |
| psi-baptigenin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones;
benzodioxoles | antiprotozoal drug;
plant metabolite |
| psoralidin | [no description available] | low | 0 | 0 | coumestans;
delta-lactone;
polyphenol | estrogen receptor agonist;
plant metabolite |
| puerarin | [no description available] | low | 0 | 0 | C-glycosyl compound;
hydroxyisoflavone | plant metabolite |
| tectoridin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
methoxyisoflavone;
monosaccharide derivative | plant metabolite |
| tectorigenin | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones;
methoxyisoflavone | anti-inflammatory agent;
plant metabolite |
| wighteone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antifungal agent;
plant metabolite |
| maytansine | [no description available] | low | 0 | 0 | alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound | antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator |
| ellagic acid | [no description available] | low | 0 | 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 |
| savinin | [no description available] | low | 0 | 0 | benzodioxoles;
gamma-lactone;
lignan | anti-inflammatory agent;
anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite;
T-cell proliferation inhibitor |
| tectochrysin | [no description available] | low | 0 | 0 | monohydroxyflavone;
monomethoxyflavone | antidiarrhoeal drug;
antineoplastic agent;
plant metabolite |
| 2'-hydroxygenistein | [no description available] | low | 0 | 0 | hydroxyisoflavone | plant metabolite |
| astragalin | [no description available] | low | 0 | 0 | beta-D-glucoside;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone | plant metabolite;
trypanocidal drug |
| cinnamyl acetate | [no description available] | low | 0 | 0 | acetate ester | plant metabolite |
| kaempferol-3-o-galactoside | [no description available] | low | 0 | 0 | beta-D-galactoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antifungal agent;
plant metabolite |
| vitexin rhamnoside | [no description available] | low | 0 | 0 | C-glycosyl compound;
disaccharide derivative;
trihydroxyflavone | plant metabolite |
| kaempferol 3-o-sophoroside | [no description available] | low | 0 | 0 | sophoroside;
trihydroxyflavone | plant metabolite |
| quercetin-3-o-sophoroside | [no description available] | low | 0 | 0 | sophoroside;
tetrahydroxyflavone | antioxidant;
plant metabolite |
| ethyl linoleate | [no description available] | low | 0 | 0 | long-chain fatty acid ethyl ester | anti-inflammatory agent;
plant metabolite |
| plaunotol | [no description available] | low | 0 | 0 | diterpenoid;
primary alcohol | anti-ulcer drug;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
nephroprotective agent;
plant metabolite;
vulnerary |
| sofalcone | [no description available] | low | 0 | 0 | aromatic ether;
chalcones;
monocarboxylic acid | anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite |
| xanthoxin | [no description available] | low | 0 | 0 | apo carotenoid sesquiterpenoid;
enal | plant growth retardant;
plant metabolite |
| tocotrienol, alpha | [no description available] | low | 0 | 0 | tocotrienol;
vitamin E | ferroptosis inhibitor;
human metabolite;
neuroprotective agent;
plant metabolite |
| tocotrienol, beta | [no description available] | low | 0 | 0 | tocotrienol;
vitamin E | antineoplastic agent;
apoptosis inducer;
plant metabolite |
| gamma-tocotrienol | [no description available] | low | 0 | 0 | tocotrienol;
vitamin E | antineoplastic agent;
antioxidant;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
radiation protective agent |
| tocotrienol, delta | [no description available] | low | 0 | 0 | tocotrienol;
vitamin E | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
NF-kappaB inhibitor;
plant metabolite;
radiation protective agent;
Saccharomyces cerevisiae metabolite |
| 4-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones;
phenols | antihypertensive agent;
plant metabolite |
| 9-hydroxy-10,12-octadecadienoic acid | [no description available] | low | 0 | 0 | HODE;
octadecadienoic acid | human metabolite;
metabolite;
mouse metabolite;
plant metabolite |
| 2-heptenal | [no description available] | low | 0 | 0 | enal;
medium-chain fatty aldehyde;
monounsaturated fatty aldehyde | plant metabolite;
uremic toxin |
| 2-nonenal, (trans)-isomer | [no description available] | low | 0 | 0 | enal;
medium-chain fatty aldehyde;
monounsaturated fatty aldehyde | plant metabolite |
| oleylamide | [no description available] | low | 0 | 0 | primary fatty amide | human metabolite;
plant metabolite |
| 1-monooleoyl-rac-glycerol | [no description available] | low | 0 | 0 | 1-acylglycerol 18:1;
monooleoylglycerol | plant metabolite |
| monolinolein | [no description available] | low | 0 | 0 | 1-acylglycerol 18:2;
rac-1-monoacylglycerol | antiviral agent;
human metabolite;
plant metabolite |
| methyl linoleate | [no description available] | low | 0 | 0 | fatty acid methyl ester | plant metabolite |
| morphine | [no description available] | low | 0 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic |
| delta(3)-hexadecenoic acid | [no description available] | low | 0 | 0 | hexadecenoic acid | plant metabolite |
| stearidonic acid | [no description available] | low | 0 | 0 | long-chain fatty acid;
octadecatetraenoic acid;
omega-3 fatty acid | Daphnia galeata metabolite;
mouse metabolite;
plant metabolite |
| juniperonic acid | [no description available] | low | 0 | 0 | icosatetraenoic acid | plant metabolite |
| casticin | [no description available] | low | 0 | 0 | dihydroxyflavone;
tetramethoxyflavone | apoptosis inducer;
plant metabolite |
| rosmarinic acid | [no description available] | low | 0 | 0 | carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol | antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor |
| cannabigerol | [no description available] | low | 0 | 0 | phytocannabinoid;
resorcinols | anti-inflammatory agent;
antibacterial agent;
antioxidant;
appetite enhancer;
cannabinoid receptor agonist;
neuroprotective agent;
plant metabolite |
| centaureidin | [no description available] | low | 0 | 0 | trihydroxyflavone;
trimethoxyflavone | antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
plant metabolite |
| cinnamyl alcohol | [no description available] | low | 0 | 0 | cinnamyl alcohol | plant metabolite |
| 7-demethylsuberosin | [no description available] | low | 0 | 0 | hydroxycoumarin | plant metabolite |
| kaempferol 3-o-rhamnoside | [no description available] | low | 0 | 0 | glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | anti-inflammatory agent;
antibacterial agent;
plant metabolite |
| syringin | [no description available] | low | 0 | 0 | beta-D-glucoside;
dimethoxybenzene;
monosaccharide derivative;
primary alcohol | hepatoprotective agent;
plant metabolite |
| 3,3'-di-o-methylquercetin | [no description available] | low | 0 | 0 | 3'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite |
| glycitein | [no description available] | low | 0 | 0 | 7-hydroxyisoflavone;
methoxyisoflavone | fungal metabolite;
phytoestrogen;
plant metabolite |
| glycycoumarin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins;
resorcinols | antispasmodic drug;
plant metabolite |
| quadrangularin a | [no description available] | low | 0 | 0 | indanes;
polyphenol;
stilbenoid | antioxidant;
plant metabolite |
| isoginkgetin | [no description available] | low | 0 | 0 | aromatic ether;
biflavonoid | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite |
| isomangiferin | [no description available] | low | 0 | 0 | C-glycosyl compound;
polyphenol;
xanthones | anti-HSV-1 agent;
plant metabolite |
| isosalipurposide | [no description available] | low | 0 | 0 | beta-D-glucoside;
chalcones;
monosaccharide derivative;
resorcinols | antioxidant;
plant metabolite |
| kaempferol-3-o-rutinoside | [no description available] | low | 0 | 0 | disaccharide derivative;
kaempferol O-glucoside;
rutinoside;
trihydroxyflavone | metabolite;
plant metabolite;
radical scavenger |
| luteolin 4'-o-glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | plant metabolite |
| methyl linolenate | [no description available] | low | 0 | 0 | fatty acid methyl ester | insect attractant;
plant metabolite |
| 3'-o-methylorobol | [no description available] | low | 0 | 0 | hydroxyisoflavone;
methoxyisoflavone | plant metabolite |
| 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone | [no description available] | low | 0 | 0 | trihydroxyanthraquinone | plant metabolite |
| cudraflavone c | [no description available] | low | 0 | 0 | tetrahydroxyflavone | antibacterial agent;
antineoplastic agent;
plant metabolite |
| muromonab-cd3 | [no description available] | low | 0 | 0 | extended flavonoid;
pyranochromane;
trihydroxyflavone | anti-inflammatory agent;
plant metabolite |
| neobavaisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
plant metabolite;
platelet aggregation inhibitor |
| neoglycyrol | [no description available] | low | 0 | 0 | aromatic ether;
coumestans;
delta-lactone;
polyphenol | antineoplastic agent;
plant metabolite |
| beta-ocimene | [no description available] | low | 0 | 0 | beta-ocimene | plant metabolite |
| ombuine | [no description available] | low | 0 | 0 | dimethoxyflavone;
flavonols;
trihydroxyflavone | anti-inflammatory agent;
plant metabolite |
| osthenol | [no description available] | low | 0 | 0 | hydroxycoumarin | antifungal agent;
plant metabolite |
| 5,7-dihydroxy-4',6-dimethoxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone;
dimethoxyflavone | plant metabolite |
| tiliroside | [no description available] | low | 0 | 0 | cinnamate ester;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | plant metabolite |
| spiraeoside | [no description available] | low | 0 | 0 | beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone | antineoplastic agent;
antioxidant;
plant metabolite |
| rhamnazin | [no description available] | low | 0 | 0 | aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone | antineoplastic agent;
plant metabolite |
| kaempferol-7-methyl ether | [no description available] | low | 0 | 0 | flavonols;
monomethoxyflavone;
trihydroxyflavone | plant metabolite |
| oridonin | [no description available] | low | 0 | 0 | cyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol | angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite |
| 7,8-dimethylalloxazine | [no description available] | low | 0 | 0 | 7,8-dimethylbenzo[g]pteridine-2,4-dione | plant metabolite |
| ergothioneine | [no description available] | low | 0 | 0 | 1,3-dihydroimidazole-2-thiones;
amino-acid betaine;
L-histidine derivative;
sulfur-containing amino acid | antioxidant;
chelator;
fungal metabolite;
plant metabolite;
xenobiotic metabolite |
| ermanin | [no description available] | low | 0 | 0 | dihydroxyflavone;
dimethoxyflavone | anti-inflammatory agent;
antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
plant metabolite |
| 5-hydroxy-3,3',4',7-tetramethoxyflavone | [no description available] | low | 0 | 0 | 3'-methoxyflavones;
monohydroxyflavone;
tetramethoxyflavone | plant metabolite |
| methyl 2,5-dihydroxycinnamate | [no description available] | low | 0 | 0 | cinnamate ester;
hydroquinones;
methyl ester | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
geroprotector;
human urinary metabolite;
plant metabolite |
| methyl ferulate | [no description available] | low | 0 | 0 | cinnamate ester;
guaiacols;
methyl ester | plant metabolite |
| lichexanthone | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | plant metabolite |
| glyceryl behenate | [no description available] | low | 0 | 0 | 1-monoglyceride;
fatty acid ester | antineoplastic agent;
plant metabolite |
| ethyl oleate | [no description available] | low | 0 | 0 | long-chain fatty acid ethyl ester | acaricide;
plant metabolite |
| 2-pentenal | [no description available] | low | 0 | 0 | 2-pentenal | plant metabolite |
| erucyl amide | [no description available] | low | 0 | 0 | 13-docosenamide | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite;
mammalian metabolite;
plant metabolite;
rat metabolite |
| beta-damascenone | [no description available] | low | 0 | 0 | apo carotenoid monoterpenoid;
cyclic monoterpene ketone;
enone | fragrance;
plant metabolite;
volatile oil component |
| piperic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
benzodioxoles | plant metabolite |
| pipercallosidine | [no description available] | low | 0 | 0 | alkaloid;
benzodioxoles;
enamide;
secondary carboxamide | apoptosis inducer;
metabolite;
plant metabolite |
| dehydrodiconiferyl alcohol | [no description available] | low | 0 | 0 | 1-benzofurans;
guaiacols;
guaiacyl lignin;
primary alcohol | anti-inflammatory agent;
plant metabolite |
| noreugenin | [no description available] | low | 0 | 0 | chromones;
resorcinols | plant metabolite |
| decussatin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | plant metabolite |
| ecdysterone | [no description available] | low | 0 | 0 | 14alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid | animal metabolite;
plant metabolite |
| beta-aminopropionitrile fumarate (2:1) | [no description available] | low | 0 | 0 | fumarate salt | antineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite |
| gamma-mangostin | [no description available] | low | 0 | 0 | phenols;
xanthones | antineoplastic agent;
plant metabolite;
protein kinase inhibitor |
| irigenin | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones;
hydroxyisoflavone | plant metabolite |
| 5,4'-dihydroxy-7,3'-dimethoxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone;
dimethoxyflavone | anti-allergic agent;
anti-inflammatory agent;
antibacterial agent;
antioxidant;
melanin synthesis inhibitor;
plant metabolite |
| 1,7-dihydroxy-4-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | metabolite;
plant metabolite |
| tetrahydroxycurcumin | [no description available] | low | 0 | 0 | beta-diketone;
catechols;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
neuroprotective agent;
plant metabolite |
| zerumbone | [no description available] | low | 0 | 0 | cyclic ketone;
sesquiterpenoid | anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite |
| solanesol | [no description available] | low | 0 | 0 | nonaprenol;
primary alcohol | plant metabolite |
| semilicoisoflavone b | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | EC 1.1.1.21 (aldehyde reductase) inhibitor;
plant metabolite |
| lespenefril | [no description available] | low | 0 | 0 | alpha-L-rhamnoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative;
polyphenol | anti-inflammatory agent;
antidepressant;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
hypoglycemic agent;
immunomodulator;
plant metabolite |
| quercetin 3-sambubioside | [no description available] | low | 0 | 0 | disaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone | antioxidant;
plant metabolite |
| baohuoside i | [no description available] | low | 0 | 0 | glycosyloxyflavone | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite |
| avicularin | [no description available] | low | 0 | 0 | alpha-L-arabinofuranoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone | hepatoprotective agent;
plant metabolite |
| ochnaflavone | [no description available] | low | 0 | 0 | aromatic ether;
biflavonoid;
hydroxyflavone | anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
plant metabolite |
| isowighteone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | plant metabolite |
| triolein | [no description available] | low | 0 | 0 | triglyceride | Caenorhabditis elegans metabolite;
plant metabolite |
| resiniferatoxin | [no description available] | low | 0 | 0 | carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone | analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist |
| lyoniside | [no description available] | low | 0 | 0 | beta-D-glucoside;
monosaccharide derivative;
steroid saponin | plant metabolite |
| 4-hydroxycordoin | [no description available] | low | 0 | 0 | aromatic ether;
chalcones;
polyphenol | anti-inflammatory agent;
antibacterial agent;
plant metabolite |
| n-feruloylserotonin | [no description available] | low | 0 | 0 | aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide | plant metabolite |
| zosteric acid | [no description available] | low | 0 | 0 | aryl sulfate;
cinnamic acids | antifouling biocide;
plant metabolite |
| eupomatenoid 6 | [no description available] | low | 0 | 0 | benzofurans;
phenols | anti-inflammatory agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
NF-kappaB inhibitor;
plant metabolite |
| amaranthin betacyanin | [no description available] | low | 0 | 0 | disaccharide derivative;
indoles;
olefinic compound;
tetrahydropyridine | biological pigment;
plant metabolite |
| mevalonolactone | [no description available] | low | 0 | 0 | 4-hydroxy-4-methyloxan-2-one | fungal metabolite;
plant metabolite |
| coronardine | [no description available] | low | 0 | 0 | alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound | antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite |
| columbianadin | [no description available] | low | 0 | 0 | alpha,beta-unsaturated carboxylic ester;
furanocoumarin | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite |
| germacrone | [no description available] | low | 0 | 0 | germacrane sesquiterpenoid;
olefinic compound | androgen antagonist;
anti-inflammatory agent;
antifeedant;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antioxidant;
antitussive;
antiviral agent;
apoptosis inducer;
autophagy inducer;
hepatoprotective agent;
insecticide;
neuroprotective agent;
plant metabolite;
volatile oil component |
| salannin | [no description available] | low | 0 | 0 | acetate ester;
furans;
limonoid;
methyl ester;
organic heteropentacyclic compound | antifeedant;
insect growth regulator;
plant metabolite |
| thunberginol f | [no description available] | low | 0 | 0 | catechols;
gamma-lactone;
isobenzofuranone | metabolite;
plant metabolite |
| 9-hydroxy-10,12,15-octadecatrienoic acid | [no description available] | low | 0 | 0 | 9-HOTrE | plant metabolite |
| valerenic acid | [no description available] | low | 0 | 0 | carbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid | GABA modulator;
plant metabolite;
sedative;
volatile oil component |
| zeatin riboside | [no description available] | low | 0 | 0 | 9-ribosylzeatin;
nucleoside analogue | cytokinin;
plant metabolite |
| acuminatin | [no description available] | low | 0 | 0 | 1-benzofurans;
dimethoxybenzene;
neolignan;
olefinic compound;
ring assembly | fungal metabolite;
plant metabolite |
| cucurbitacin I 2-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside;
cucurbitacin;
monosaccharide derivative;
tertiary alpha-hydroxy ketone;
triterpenoid saponin | plant metabolite |
| perflubron | [no description available] | low | 0 | 0 | 2-acyl-4-prenylphloroglucinol;
chalcones | plant metabolite |
| tuberonic acid | [no description available] | low | 0 | 0 | cyclopentanones;
homoallylic alcohol;
oxo monocarboxylic acid;
primary alcohol | jasmonates;
plant metabolite |
| salvianolic acid B | [no description available] | low | 0 | 0 | 1-benzofurans;
catechols;
dicarboxylic acid;
enoate ester;
polyphenol | anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
autophagy inhibitor;
cardioprotective agent;
hepatoprotective agent;
hypoglycemic agent;
neuroprotective agent;
osteogenesis regulator;
plant metabolite |
| trilobatin | [no description available] | low | 0 | 0 | aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative | anti-inflammatory agent;
antioxidant;
plant metabolite;
sweetening agent |
| 2',4',6'-trihydroxychalcone | [no description available] | low | 0 | 0 | chalcones | antifungal agent;
plant metabolite |
| beta-tocopherol | [no description available] | low | 0 | 0 | tocopherol;
vitamin E | food component;
plant metabolite |
| nyasol | [no description available] | low | 0 | 0 | 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene | plant metabolite |
| ginsenoside rb2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid | antiviral agent;
hypoglycemic agent;
plant metabolite |
| yunaconitine | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound | antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic |
| 3-tyrosine | [no description available] | low | 0 | 0 | hydroxyphenylalanine;
L-alpha-amino acid zwitterion;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
phenols | plant metabolite |
| alpha-solanine | [no description available] | low | 0 | 0 | glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative | antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite |
| 3-O-feruloyl-D-quinic acid | [no description available] | low | 0 | 0 | enoate ester;
quinic acid | plant metabolite |
| ginsenoside f1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
6alpha-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid | apoptosis inhibitor;
plant metabolite |
| capsiate | [no description available] | low | 0 | 0 | carboxylic ester;
monomethoxybenzene;
phenols | angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite |
| p-coumaric acid glucoside | [no description available] | low | 0 | 0 | 4-O-beta-D-glucosyl-4-coumaric acid | plant metabolite |
| ginsenoside m1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid | anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
hepatoprotective agent;
plant metabolite |
| nicotianamine | [no description available] | low | 0 | 0 | amino acid zwitterion;
nicotianamine | chelator;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
plant metabolite |
| ginsenoside rb1 | [no description available] | low | 0 | 0 | ginsenoside;
glycoside;
tetracyclic triterpenoid | anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger |
| 6''-o-malonyldaidzin | [no description available] | low | 0 | 0 | glycosyloxyisoflavone;
hydroxyisoflavone;
malonate ester;
monosaccharide derivative | plant metabolite |
| ginsenoside f2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid | antineoplastic agent;
apoptosis inducer;
plant metabolite |
| ginsenoside rg3 | [no description available] | low | 0 | 0 | ginsenoside;
glycoside;
tetracyclic triterpenoid | angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite |
| 4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
| hetacillin | [no description available] | low | 0 | 0 | guaiacols;
lignan;
oxolanes;
polyphenol;
tetrol | plant metabolite |
| kaempferol 7-o-glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone | metabolite;
plant metabolite;
radical scavenger |
| 3-epi-fagomine | [no description available] | low | 0 | 0 | amino monosaccharide;
hydroxypiperidine;
primary alcohol;
secondary alcohol;
secondary amino compound;
triol | EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor;
EC 3.2.1.23 (beta-galactosidase) inhibitor;
plant metabolite |
| akuammicine | [no description available] | low | 0 | 0 | methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | plant metabolite |
| demethylzeylasteral | [no description available] | low | 0 | 0 | arenecarbaldehyde;
benzenediols;
carbopolycyclic compound;
cyclic ketone;
enone;
oxo monocarboxylic acid | anti-inflammatory agent;
EC 2.4.1.17 (glucuronosyltransferase) inhibitor;
immunosuppressive agent;
nephroprotective agent;
plant metabolite |
| alpha-cadinol | [no description available] | low | 0 | 0 | cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol | fungicide;
plant metabolite;
volatile oil component |
| 11-hydroxysugiol | [no description available] | low | 0 | 0 | abietane diterpenoid;
carbotricyclic compound;
catechols;
cyclic terpene ketone;
meroterpenoid | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite |
| triptohypol C | [no description available] | low | 0 | 0 | benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid | apoptosis inducer;
plant metabolite |
| trilobacin | [no description available] | low | 0 | 0 | butenolide;
polyketide;
triol | antineoplastic agent;
plant metabolite |
| 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone | [no description available] | low | 0 | 0 | chalcones;
monomethoxybenzene;
resorcinols | EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite |
| 1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one | [no description available] | low | 0 | 0 | diarylheptanoid;
enone;
phenols | plant metabolite |
| 6-deacetylnimbin | [no description available] | low | 0 | 0 | cyclic terpene ketone;
diester;
enone;
furans;
limonoid;
methyl ester;
tetracyclic triterpenoid | antifeedant;
insect growth regulator;
plant metabolite |
| 1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one | [no description available] | low | 0 | 0 | diarylheptanoid;
enone;
phenols | plant metabolite |
| 2,3-dihydro-3beta-methoxy withaferin A | [no description available] | low | 0 | 0 | 27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide | metabolite;
plant metabolite |
| azadirone | [no description available] | low | 0 | 0 | acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid | antineoplastic agent;
antiplasmodial drug;
plant metabolite |
| dihydroartemisinic acid | [no description available] | low | 0 | 0 | carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid | plant metabolite |
| atractyligenine | [no description available] | low | 0 | 0 | carbotetracyclic compound;
dihydroxy monocarboxylic acid;
ent-kaurane diterpenoid;
tetracyclic diterpenoid | plant metabolite |
| dihydrogenistin | [no description available] | low | 0 | 0 | beta-D-glucoside;
hydroxyisoflavanone;
monosaccharide derivative | plant metabolite |
| n-benzylhexadecanamide | [no description available] | low | 0 | 0 | macamide;
secondary carboxamide | EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
neuroprotective agent;
plant metabolite |
| triphosphate | [no description available] | low | 0 | 0 | aldehyde;
indole alkaloid;
organic heteropentacyclic compound | plant metabolite |
| aspalathin | [no description available] | low | 0 | 0 | C-glycosyl compound;
catechols;
dihydrochalcones;
polyketide;
polyphenol | antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
hypoglycemic agent;
plant metabolite |
| glyceryl ferulate | [no description available] | low | 0 | 0 | 1-monoglyceride;
aromatic ether;
enoate ester;
phenols | antioxidant;
plant metabolite;
ultraviolet filter |
| obolactone | [no description available] | low | 0 | 0 | 2-pyranones;
4-pyranones | antineoplastic agent;
plant metabolite |
| quinine | [no description available] | low | 0 | 0 | Aspidosperma alkaloid;
epoxide;
methyl ester;
monoterpenoid indole alkaloid;
organic heterohexacyclic compound | plant metabolite |
| alpha-onocerin | [no description available] | low | 0 | 0 | diol;
olefinic compound;
secondary alcohol;
triterpenoid | plant metabolite |
| kalopanax saponin b | [no description available] | low | 0 | 0 | carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin | anti-inflammatory agent;
plant metabolite |
| ginsenoside rd | [no description available] | low | 0 | 0 | beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid | anti-inflammatory drug;
apoptosis inducer;
immunosuppressive agent;
neuroprotective agent;
plant metabolite;
vulnerary |
| (+)-dehydrodiconiferyl alcohol | [no description available] | low | 0 | 0 | dehydrodiconiferyl alcohol | antioxidant;
plant metabolite |
| viridiflorol | [no description available] | low | 0 | 0 | carbotricyclic compound;
sesquiterpenoid;
tertiary alcohol | anti-inflammatory agent;
antifeedant;
antimycobacterial drug;
plant metabolite;
volatile oil component |
| gedunin | [no description available] | low | 0 | 0 | acetate ester;
enone;
epoxide;
furans;
lactone;
limonoid;
organic heteropentacyclic compound;
pentacyclic triterpenoid | antimalarial;
antineoplastic agent;
Hsp90 inhibitor;
plant metabolite |
| morelloflavone | [no description available] | low | 0 | 0 | biflavonoid;
hydroxyflavanone;
hydroxyflavone | plant metabolite |
| 2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
| azadiradione | [no description available] | low | 0 | 0 | acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid | anti-inflammatory agent;
antimycobacterial drug;
plant metabolite |
| (-)-pinoresinol | [no description available] | low | 0 | 0 | pinoresinol | plant metabolite |
| oplodiol | [no description available] | low | 0 | 0 | carbobicyclic compound;
octahydronaphthalenes;
secondary alcohol;
sesquiterpenoid;
tertiary alcohol | plant metabolite |
| roburic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
olefinic compound;
tetracyclic triterpenoid | plant metabolite |
| ginsenoside rc | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid | hypoglycemic agent;
plant metabolite |
| ginsenoside rh1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid | plant metabolite |
| ginsenoside rb3 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid | antidepressant;
antioxidant;
cardioprotective agent;
neuroprotective agent;
NMDA receptor antagonist;
plant metabolite |
| eriodictyol 7-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone | plant metabolite;
radical scavenger |
| 5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one | [no description available] | low | 0 | 0 | alkaloid;
chromones;
hydroxypiperidine;
resorcinols;
tertiary amino compound | anti-inflammatory agent;
anti-ulcer drug;
anticholesteremic drug;
antileishmanial agent;
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
fungal metabolite;
plant metabolite |
| astragaloside IV | [no description available] | low | 0 | 0 | pentacyclic triterpenoid;
triterpenoid saponin | anti-inflammatory agent;
antioxidant;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
neuroprotective agent;
plant metabolite;
pro-angiogenic agent |
| 1-O-feruloyl-beta-D-glucose | [no description available] | low | 0 | 0 | aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols | antioxidant;
plant metabolite |
| astragaloside ii | [no description available] | low | 0 | 0 | beta-D-glucoside;
monosaccharide derivative;
oxolanes;
pentacyclic triterpenoid;
triterpenoid saponin | plant metabolite |
| ligstroside | [no description available] | low | 0 | 0 | beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside | antineoplastic agent;
plant metabolite |
| 23-hydroxyursolic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
| dihydroconiferyl alcohol glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside;
monomethoxybenzene;
monosaccharide derivative;
primary alcohol | plant metabolite |
| oroxylin a-7-o-glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid;
glycosyloxyflavone;
monohydroxyflavone;
monomethoxyflavone;
monosaccharide derivative | plant metabolite |
| 5-deoxystrigol | [no description available] | low | 0 | 0 | indenofuran;
strigolactone | plant metabolite |
| 2,3-dihydrowithaferin A | [no description available] | low | 0 | 0 | 27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide | plant metabolite |
| vibsanin b | [no description available] | low | 0 | 0 | cyclic terpene ketone;
enone;
tertiary alcohol;
vibsane diterpenoid | plant growth retardant;
plant metabolite |
| malonylgenistin | [no description available] | low | 0 | 0 | beta-D-glucoside;
glycosyloxyisoflavone;
hydroxyisoflavone;
malonate ester;
monosaccharide derivative | plant metabolite |
| adonixanthin | [no description available] | low | 0 | 0 | carotenone;
cyclic ketone;
secondary alcohol | algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite |
| niga-ichigoside f1 | [no description available] | low | 0 | 0 | beta-D-glucoside;
monosaccharide derivative;
pentacyclic triterpenoid;
tetrol;
triterpenoid saponin | plant metabolite |
| cinnamtannin a2 | [no description available] | low | 0 | 0 | proanthocyanidin | plant metabolite |
| benzoylaconine | [no description available] | low | 0 | 0 | benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol | phytotoxin;
plant metabolite |
| miltiradiene | [no description available] | low | 0 | 0 | abietadiene;
carbotricyclic compound | plant metabolite |
| tricin 4'-o-(threo-beta-guaiacylglyceryl) ether | [no description available] | low | 0 | 0 | dimethoxybenzene;
flavonolignan;
polyphenol;
primary alcohol;
secondary alcohol | plant metabolite |
| triptotriterpenic acid a | [no description available] | low | 0 | 0 | diol;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
| cycloeucalenone | [no description available] | low | 0 | 0 | 3-oxo-5alpha-steroid;
cyclic terpene ketone;
pentacyclic triterpenoid | plant metabolite |
| deoxyaconitine | [no description available] | low | 0 | 0 | acetate ester;
benzoate ester;
bridged compound;
diol;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary amino compound | plant metabolite |
| ginsenoside rg2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
20-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid | anticoagulant;
cardioprotective agent;
plant metabolite |
| cauloside D | [no description available] | low | 0 | 0 | carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin | anti-inflammatory agent;
plant metabolite |
| oxypaeoniflora | [no description available] | low | 0 | 0 | 4-hydroxybenzoate ester;
beta-D-glucoside;
bridged compound;
cyclic acetal;
lactol;
monoterpene glycoside | plant metabolite |
| 5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one | [no description available] | low | 0 | 0 | aromatic ether;
homoisoflavonoid;
polyphenol | angiogenesis modulating agent;
plant metabolite |
| vindolinine | [no description available] | low | 0 | 0 | methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | plant metabolite |
| rubusoside | [no description available] | low | 0 | 0 | beta-D-glucoside;
bridged compound;
steviol glycoside;
tetracyclic diterpenoid | plant metabolite;
sweetening agent |
| madecassoside | [no description available] | low | 0 | 0 | carboxylic ester;
pentacyclic triterpenoid;
trisaccharide derivative;
triterpenoid saponin | anti-inflammatory agent;
antioxidant;
antirheumatic drug;
plant metabolite;
vulnerary |
| benzoylmesaconine | [no description available] | low | 0 | 0 | benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol | analgesic;
antiinfective agent;
plant metabolite |
| albiflorin | [no description available] | low | 0 | 0 | benzoate ester;
beta-D-glucoside;
bridged compound;
gamma-lactone;
monoterpene glycoside;
secondary alcohol | neuroprotective agent;
plant metabolite |
| 6-tuliposide b | [no description available] | low | 0 | 0 | 6-O-acyl-D-glucose;
enoate ester | antibacterial agent;
antifungal agent;
plant metabolite |
| quercetin 3-o-glucoside-7-o-rhamnoside | [no description available] | low | 0 | 0 | beta-D-glucoside;
quercetin O-glucoside;
trihydroxyflavone | plant metabolite;
trypanocidal drug |
| 10-nonacosanol | [no description available] | low | 0 | 0 | secondary fatty alcohol;
ultra-long-chain fatty alcohol | plant metabolite |
| (E)-sinapaldehyde 4-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside;
cinnamaldehydes;
dimethoxybenzene;
monosaccharide derivative | plant metabolite |
| 1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one | [no description available] | low | 0 | 0 | diarylheptanoid;
ketone;
phenols | plant metabolite |
| kurarinol | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone | anti-inflammatory agent;
antioxidant;
plant metabolite |
| 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 |
| gypenoside XVII | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid | plant metabolite |
| euonine | [no description available] | low | 0 | 0 | acetate ester;
dihydroagarofuran sesquiterpenoid;
macrolide;
pyridine alkaloid;
sesquiterpene alkaloid | immunosuppressive agent;
insecticide;
plant metabolite |
| picrinine | [no description available] | low | 0 | 0 | alkaloid ester;
indole alkaloid;
methyl ester;
organic heteropentacyclic compound;
polycyclic ether | analgesic;
anti-asthmatic agent;
anti-inflammatory agent;
antitussive;
plant metabolite |
| (20R)-ginsenoside Rg3 | [no description available] | low | 0 | 0 | ginsenoside;
glycoside;
tetracyclic triterpenoid | antioxidant;
plant metabolite |
| epoxyazadiradione | [no description available] | low | 0 | 0 | acetate ester;
cyclic terpene ketone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid | anti-inflammatory agent;
insecticide;
plant metabolite |
| n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide | [no description available] | low | 0 | 0 | acetamides;
hydroxyindoles;
tryptamines | antineoplastic agent;
apoptosis inducer;
plant metabolite |
| salicylates | [no description available] | low | 0 | 0 | monohydroxybenzoate | plant metabolite |
| orobanchol | [no description available] | low | 0 | 0 | indenofuran;
secondary alcohol;
strigolactone | plant metabolite |
| oleuropein aglycone | [no description available] | low | 0 | 0 | catechols;
diester;
lactol;
methyl ester;
pyrans;
secoiridoid | anti-inflammatory agent;
antioxidant;
mTOR inhibitor;
neuroprotective agent;
plant metabolite;
TRPA1 channel agonist |
| stemmadenine | [no description available] | low | 0 | 0 | Aspidosperma alkaloid;
methyl ester;
monoterpenoid indole alkaloid;
organic heterotetracyclic compound;
primary alcohol | plant metabolite |
| capilliposide b | [no description available] | low | 0 | 0 | alpha-L-arabinopyranoside;
bridged compound;
cyclic ether;
diol;
hexacyclic triterpenoid;
hexanoate ester;
lactol;
secondary alcohol;
tetrasaccharide derivative;
triterpenoid saponin | antineoplastic agent;
plant metabolite |
| paeoniflorigenone | [no description available] | low | 0 | 0 | alicyclic ketone;
benzoate ester;
bridged compound;
cyclic acetal;
lactol;
monoterpenoid | neuromuscular agent;
plant metabolite |
| maysin | [no description available] | low | 0 | 0 | disaccharide derivative;
flavone C-glycoside;
secondary alpha-hydroxy ketone;
tetrahydroxyflavone | insecticide;
neuroprotective agent;
plant metabolite |
| cryptocaryol a | [no description available] | low | 0 | 0 | 2-pyranones;
pentol | plant metabolite |
| gypenoside LXXV | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid | plant metabolite |
| chrysopine | [no description available] | low | 0 | 0 | amino acid opine;
carboxamide;
delta-lactone;
secondary amino compound;
spiroketal;
triol | plant metabolite |
| ebc-46 | [no description available] | low | 0 | 0 | diester;
diterpenoid;
organic heteropentacyclic compound;
phorbol ester | antineoplastic agent;
plant metabolite;
protein kinase C agonist |
| wilforgine | [no description available] | low | 0 | 0 | acetate ester;
dihydroagarofuran sesquiterpenoid;
furans;
macrocyclic lactone;
organic heteropentacyclic compound;
pyridine alkaloid | plant metabolite |
| dehydrotomatine | [no description available] | low | 0 | 0 | alkaloid antibiotic;
glycoside;
steroid alkaloid;
tetrasaccharide derivative | antifungal agent;
phytotoxin;
plant metabolite |
| biliatresone | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols | plant metabolite;
toxin |
| cyclic gmp | [no description available] | low | 0 | 0 | 3',5'-cyclic purine nucleotide;
guanyl ribonucleotide | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| deoxyinosine | [no description available] | low | 0 | 0 | purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| deoxyguanosine triphosphate | [no description available] | low | 0 | 0 | deoxyguanosine phosphate;
guanyl deoxyribonucleotide;
purine 2'-deoxyribonucleoside 5'-triphosphate | Arabidopsis thaliana metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| guanosine diphosphate mannose | [no description available] | low | 0 | 0 | GDP-D-mannose | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite |
| formic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | antibacterial agent;
astringent;
metabolite;
protic solvent;
solvent |
| octanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | antibacterial agent;
Escherichia coli metabolite;
human metabolite |
| mandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid;
benzenes | antibacterial agent;
human xenobiotic metabolite |
| oxyquinoline | [no description available] | low | 0 | 0 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
| alexidine | [no description available] | low | 0 | 0 | biguanides | antibacterial agent |
| carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | low | 0 | 0 | hydrazone;
monochlorobenzenes;
nitrile | antibacterial agent;
geroprotector;
ionophore |
| chelerythrine | [no description available] | low | 0 | 0 | benzophenanthridine alkaloid;
organic cation | antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
| chlorhexidine | [no description available] | low | 0 | 0 | biguanides;
monochlorobenzenes | antibacterial agent;
antiinfective agent |
| chloroxine | [no description available] | low | 0 | 0 | monohydroxyquinoline;
organochlorine compound | antibacterial agent;
antifungal drug;
antiseborrheic |
| ciclopirox | [no description available] | low | 0 | 0 | cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone | antibacterial agent;
antiseborrheic |
| clioquinol | [no description available] | low | 0 | 0 | monohydroxyquinoline;
organochlorine compound;
organoiodine compound | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator |
| dichlorvos | [no description available] | low | 0 | 0 | alkenyl phosphate;
dialkyl phosphate;
organochlorine acaricide;
organophosphate insecticide | anthelminthic drug;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| ebselen | [no description available] | low | 0 | 0 | benzoselenazole | anti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger |
| gentian violet | [no description available] | low | 0 | 0 | iminium ion | antibacterial agent;
antifungal agent |
| heptachlor | [no description available] | low | 0 | 0 | cyclodiene organochlorine insecticide | agrochemical;
antibacterial agent;
antifungal agent;
GABA-gated chloride channel antagonist;
persistent organic pollutant |
| hexachlorophene | [no description available] | low | 0 | 0 | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug |
| iodoquinol | [no description available] | low | 0 | 0 | monohydroxyquinoline;
organoiodine compound | antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug |
| naled | [no description available] | low | 0 | 0 | dialkyl phosphate;
organobromine compound;
organochlorine compound;
organophosphate insecticide | acaricide;
agrochemical;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| resorcinol monoacetate | [no description available] | low | 0 | 0 | phenols;
phenyl acetates | antibacterial agent;
dermatologic drug |
| sulfamethoxazole | [no description available] | low | 0 | 0 | isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic |
| sulfanilamide | [no description available] | low | 0 | 0 | substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| triclosan | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols | antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic |
| cloxacillin | [no description available] | low | 0 | 0 | penicillin allergen;
penicillin;
semisynthetic derivative | antibacterial agent;
antibacterial drug |
| oxacillin | [no description available] | low | 0 | 0 | penicillin | antibacterial agent;
antibacterial drug |
| tert-butylhydroperoxide | [no description available] | low | 0 | 0 | alkyl hydroperoxide | antibacterial agent;
oxidising agent |
| pyocyanine | [no description available] | low | 0 | 0 | iminium betaine;
phenazines | antibacterial agent;
bacterial metabolite;
biological pigment;
virulence factor |
| acriflavine chloride | [no description available] | low | 0 | 0 | organic chloride salt | antibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator |
| acetopyrrothine | [no description available] | low | 0 | 0 | acetamides;
dithiolopyrrolone antibiotic | angiogenesis inhibitor;
antibacterial agent;
antifungal agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite;
protein synthesis inhibitor;
toxin |
| proflavine | [no description available] | low | 0 | 0 | aminoacridines | antibacterial agent;
antiseptic drug;
carcinogenic agent;
chromophore;
intercalator |
| benzethonium chloride | [no description available] | low | 0 | 0 | aromatic ether;
chloride salt;
quaternary ammonium salt | antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant |
| diazooxonorleucine | [no description available] | low | 0 | 0 | amino acid zwitterion;
diazo compound;
ketone;
non-proteinogenic L-alpha-amino acid | analgesic;
antibacterial agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
bacterial metabolite;
EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor;
EC 3.5.1.2 (glutaminase) inhibitor;
EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor;
EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor;
EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor;
glutamine antagonist |
| cloflucarban | [no description available] | low | 0 | 0 | monochlorobenzenes;
phenylureas | antibacterial agent |
| dazomet | [no description available] | low | 0 | 0 | dithiocarbamic ester;
thiadiazinane | antibacterial agent;
antifungal agrochemical;
herbicide;
nematicide |
| gentian violet | [no description available] | low | 0 | 0 | organic chloride salt | anthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye |
| malachite green | [no description available] | low | 0 | 0 | organic chloride salt | antibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent |
| brilliant green | [no description available] | low | 0 | 0 | organic hydrogensulfate salt | antibacterial agent;
antiseptic drug;
environmental contaminant;
fluorochrome;
histological dye;
poison |
| sulfaethoxypyridazine | [no description available] | low | 0 | 0 | sulfonamide | antibacterial agent |
| nitrapyrin | [no description available] | low | 0 | 0 | chloropyridine | agrochemical;
antibacterial agent;
nitrification inhibitor |
| dodine | [no description available] | low | 0 | 0 | acetate salt;
aliphatic nitrogen antifungal agent | antibacterial agent;
antifungal agrochemical |
| 5-methoxyindoleacetic acid | [no description available] | low | 0 | 0 | aromatic ether;
indole-3-acetic acids | antibacterial agent;
Brassica napus metabolite;
carcinogenic agent;
human urinary metabolite;
marine xenobiotic metabolite;
rat metabolite |
| 3-phenylbutyric acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | antibacterial agent;
bacterial xenobiotic metabolite |
| methylene bis(thiocyanate) | [no description available] | low | 0 | 0 | thiocyanates | antibacterial agent;
fungicide |
| pyoluteorin | [no description available] | low | 0 | 0 | aromatic ketone;
beta-hydroxy ketone;
diol;
organochlorine compound;
organochlorine pesticide;
polyketide;
pyrroles;
resorcinols | antibacterial agent;
antifungal agent;
apoptosis inducer;
bacterial metabolite;
marine metabolite |
| 2-n-octyl-4-isothiazolin-3-one | [no description available] | low | 0 | 0 | 1,2-thiazoles | antibacterial agent;
antifungal agrochemical;
environmental contaminant;
xenobiotic |
| sodium azide | [no description available] | low | 0 | 0 | inorganic sodium salt | antibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen |
| nigericin | [no description available] | low | 0 | 0 | polycyclic ether | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
potassium ionophore |
| tobramycin | [no description available] | low | 0 | 0 | amino cyclitol glycoside | antibacterial agent;
antimicrobial agent;
toxin |
| allicin | [no description available] | low | 0 | 0 | botanical anti-fungal agent;
sulfoxide | antibacterial agent |
| bicozamycin | [no description available] | low | 0 | 0 | azabicycloalkane;
bridged compound | antibacterial agent;
antidiarrhoeal drug;
antiinfective agent |
| toxoflavin | [no description available] | low | 0 | 0 | carbonyl compound;
pyrimidotriazine | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor |
| viridicatin | [no description available] | low | 0 | 0 | hydroxyquinoline | antibacterial agent;
Aspergillus metabolite;
marine metabolite;
Penicillium metabolite |
| aureothricin | [no description available] | low | 0 | 0 | dithiolopyrrolone antibiotic;
secondary carboxamide | angiogenesis inhibitor;
antibacterial agent;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor |
| arbekacin | [no description available] | low | 0 | 0 | aminoglycoside;
kanamycins | antibacterial agent;
antibacterial drug;
antimicrobial agent;
protein synthesis inhibitor |
| enrofloxacin | [no description available] | low | 0 | 0 | cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | antibacterial agent;
antimicrobial agent;
antineoplastic agent |
| oxetanocin a | [no description available] | low | 0 | 0 | diol;
nucleoside analogue;
oxetanes;
primary alcohol | anti-HIV agent;
antibacterial agent;
bacterial metabolite |
| nucleocidin | [no description available] | low | 0 | 0 | 6-aminopurines;
adenosines;
diol;
organofluorine compound;
sulfamate ester | antibacterial agent;
bacterial metabolite;
nucleoside antibiotic;
protein synthesis inhibitor;
trypanocidal drug |
| neamine | [no description available] | low | 0 | 0 | 2,6-dideoxy-alpha-D-glucoside;
aminoglycoside | antibacterial agent |
| sigmoidin a | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones;
tetrahydroxyflavanone | anti-inflammatory agent;
anti-obesity agent;
antibacterial agent;
metabolite;
radical scavenger |
| furanomycin | [no description available] | low | 0 | 0 | dihydrofuran;
non-proteinogenic L-alpha-amino acid | antibacterial agent;
antimicrobial agent;
bacterial metabolite |
| arjunolic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | antibacterial agent;
antifungal agent;
antioxidant;
metabolite |
| terreic acid | [no description available] | low | 0 | 0 | arene epoxide;
diketone;
monohydroxy-1,4-benzoquinones;
tertiary alpha-hydroxy ketone | antibacterial agent;
antineoplastic agent;
Aspergillus metabolite;
EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
mycotoxin |
| prunin protein, prunus | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative | antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite |
| atromentin | [no description available] | low | 0 | 0 | dihydroxy-1,4-benzoquinones;
polyphenol | antibacterial agent;
anticoagulant;
antineoplastic agent;
apoptosis inducer;
biological pigment;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
fungal metabolite |
| dehydroacetic acid | [no description available] | low | 0 | 0 | ketone;
pyran-2,4-dione | antibacterial agent;
fungicide;
plasticiser |
| hypothiocyanite ion | [no description available] | low | 0 | 0 | one-carbon compound;
sulfur oxoacid | antibacterial agent;
antifungal agent;
antiviral agent;
human metabolite;
oxidising agent;
rat metabolite |
| ilomastat | [no description available] | low | 0 | 0 | hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent |
| 7-aminocholesterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
primary amino compound | antibacterial agent |
| pyrrolomycin a | [no description available] | low | 0 | 0 | antibiotic antifungal agent;
C-nitro compound;
organochlorine compound;
pyrroles | antibacterial agent;
bacterial metabolite |
| u-47929 | [no description available] | low | 0 | 0 | alkaloid;
aziridines;
dipeptide;
pyrrolidines | antibacterial agent;
bacterial metabolite;
DNA synthesis inhibitor |
| my 12-62c | [no description available] | low | 0 | 0 | monohydroxyquinoline;
quinolone | antibacterial agent;
iron chelator;
metabolite;
signalling molecule |
| bromodeoxytopsentin | [no description available] | low | 0 | 0 | aromatic ketone;
bromoindole;
imidazoles;
indole alkaloid | antibacterial agent;
EC 2.7.1.40 (pyruvate kinase) inhibitor;
marine metabolite |
| vestitone | [no description available] | low | 0 | 0 | (3R)-2'-hydroxyisoflavanones;
hydroxyisoflavanone;
methoxyisoflavanone | antibacterial agent;
metabolite |
| meropenem | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide | antibacterial agent;
antibacterial drug;
drug allergen |
| griseofulvin | [no description available] | low | 0 | 0 | 1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound | antibacterial agent;
Penicillium metabolite |
| sodium arsenite | [no description available] | low | 0 | 0 | arsenic molecular entity;
inorganic sodium salt | antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide |
| surfactin c | [no description available] | low | 0 | 0 | cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
platelet aggregation inhibitor;
surfactant |
| dibekacin | [no description available] | low | 0 | 0 | kanamycins | antibacterial agent;
protein synthesis inhibitor |
| o-methyl threonine | [no description available] | low | 0 | 0 | ether;
L-threonine derivative;
non-proteinogenic L-alpha-amino acid | antibacterial agent;
bleaching agent |
| helvolic acid | [no description available] | low | 0 | 0 | 3-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid | antibacterial agent;
fungal metabolite;
mycotoxin |
| chuangxinmycin | [no description available] | low | 0 | 0 | indole alkaloid;
monocarboxylic acid;
thiinoindole | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor |
| fraxetin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxycoumarin | anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent |
| apigetrin | [no description available] | low | 0 | 0 | beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative | antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug |
| isobavachalcone | [no description available] | low | 0 | 0 | chalcones;
polyphenol | antibacterial agent;
metabolite;
platelet aggregation inhibitor |
| morin | [no description available] | low | 0 | 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 |
| caffeic acid phenethyl ester | [no description available] | low | 0 | 0 | alkyl caffeate ester | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent |
| veronicastroside | [no description available] | low | 0 | 0 | disaccharide derivative;
glycosyloxyflavone;
neohesperidoside;
trihydroxyflavone | antibacterial agent;
metabolite |
| fortimicin a | [no description available] | low | 0 | 0 | amino cyclitol glycoside;
aminoglycoside antibiotic;
diol;
monocarboxylic acid amide;
primary amino compound | antibacterial agent;
metabolite |
| bay 11-7085 | [no description available] | low | 0 | 0 | benzenes;
nitrile;
sulfone | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor |
| linolenyl alcohol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol | antibacterial agent |
| aurachin c | [no description available] | low | 0 | 0 | C-type aurachin;
hydroxylamines;
organic heterobicyclic compound;
quinolone | antibacterial agent;
bacterial metabolite;
EC 1.8.5.4 (sulfide:quinone reductase) inhibitor |
| asukamycin | [no description available] | low | 0 | 0 | enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite |
| kalimantacin a | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
carbamate ester;
fatty acid derivative;
secondary carboxamide | antibacterial agent;
antimicrobial agent;
bacterial metabolite |
| sophoraflavanone a | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone | antibacterial agent;
antineoplastic agent;
metabolite |
| cholesteryl arachidonate | [no description available] | low | 0 | 0 | cholesteryl icosatetraenoate | antibacterial agent;
mouse metabolite |
| aureothin | [no description available] | low | 0 | 0 | 4-pyranones;
C-nitro compound;
ketene acetal;
olefinic compound;
oxolanes | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor |
| platensimycin | [no description available] | low | 0 | 0 | aromatic amide;
cyclic ether;
cyclic ketone;
dihydroxybenzoic acid;
monocarboxylic acid amide;
polycyclic cage | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor |
| 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 |
| etimicin | [no description available] | low | 0 | 0 | amino cyclitol glycoside;
aminoglycoside antibiotic | antibacterial agent |
| rubraxanthone | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | antibacterial agent;
antineoplastic agent;
metabolite |
| holomycin | [no description available] | low | 0 | 0 | acetamides;
dithiolopyrrolone antibiotic | antibacterial agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite |
| fonsecinone a | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
polyphenol | antibacterial agent;
Aspergillus metabolite |
| lactonamycin | [no description available] | low | 0 | 0 | gamma-lactone;
organic heterohexacyclic compound;
phenols;
trideoxyhexose derivative | antibacterial agent;
antimicrobial agent;
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 |
| baci-im | [no description available] | low | 0 | 0 | homodetic cyclic peptide;
polypeptide;
zwitterion | antibacterial agent;
antimicrobial agent |
| 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 |
| diversonol | [no description available] | low | 0 | 0 | phenols;
tertiary alcohol | antibacterial agent;
metabolite |
| 5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine | [no description available] | low | 0 | 0 | 1,3-thiazoles;
C-nitro compound;
organic sulfide;
primary amino compound;
thiadiazoles | antibacterial agent;
c-Jun N-terminal kinase inhibitor |
| cytotrienin a | [no description available] | low | 0 | 0 | cyclopropanecarboxylate ester;
ether;
hydroquinones;
lactam;
macrocycle;
secondary alcohol | antibacterial agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
metabolite |
| 3,6-diamino-10-methylacridinium chloride hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator |
| tyrocidine | [no description available] | low | 0 | 0 | homodetic cyclic peptide;
macrocycle;
peptide antibiotic | antibacterial agent;
bacterial metabolite |
| thiazomycin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide | antibacterial agent;
antimicrobial agent;
bacterial metabolite |
| platencin | [no description available] | low | 0 | 0 | aromatic amide;
cyclic ketone;
dihydroxybenzoic acid;
monocarboxylic acid amide;
polycyclic cage | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor |
| 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 |
| marinopyrrole a | [no description available] | low | 0 | 0 | aromatic ketone;
organochlorine compound;
phenols;
pyrroles | antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite |
| etnangien | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
macrolide antibiotic | antibacterial agent;
metabolite |
| entrectinib | [no description available] | low | 0 | 0 | benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| bacillaene | [no description available] | low | 0 | 0 | enamine;
monocarboxylic acid amide;
polyene antibiotic;
polyketide;
secondary alcohol | antibacterial agent;
antimicrobial agent;
bacterial 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 |
| tropodithietic acid | [no description available] | low | 0 | 0 | cyclic ketone;
monocarboxylic acid;
organic disulfide;
organic heterobicyclic compound;
organosulfur heterocyclic compound | antibacterial agent;
bacterial metabolite;
marine metabolite;
signalling molecule;
toxin |
| jadomycin b | [no description available] | low | 0 | 0 | glycoside;
jadomycin;
organic heteropentacyclic compound | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor;
bacterial metabolite |
| fumimycin | [no description available] | low | 0 | 0 | 1-benzofurans;
dicarboxylic acid monoamide;
gamma-lactone;
monocarboxylic acid;
polyphenol | antibacterial agent;
Aspergillus metabolite;
EC 3.5.1.88 (peptide deformylase) inhibitor |
| novobiocin | [no description available] | low | 0 | 0 | carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols | antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent |
| equisetin | [no description available] | low | 0 | 0 | enol;
octahydronaphthalenes;
primary alcohol;
tetramic acids | antibacterial agent;
fungal metabolite;
HIV-1 integrase inhibitor;
quorum sensing inhibitor |
| vinylamycin | [no description available] | low | 0 | 0 | cyclodepsipeptide;
macrocycle;
primary alcohol | antibacterial agent;
antimicrobial agent;
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 |
| phleomycin d1 | [no description available] | low | 0 | 0 | bi-1,3-thiazole;
chelate-forming peptide;
disaccharide derivative;
glycopeptide;
guanidines | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite |
| boromycin | [no description available] | low | 0 | 0 | macrodiolide;
macrolide antibiotic;
organoboron compound;
oxaspiro compound;
zwitterion | anti-HIV agent;
antibacterial agent;
bacterial metabolite |
| mastoparan x | [no description available] | low | 0 | 0 | mastoparans;
peptidyl amide | antibacterial agent |
| teixobactin | [no description available] | low | 0 | 0 | cyclodepsipeptide;
macrocycle;
peptide antibiotic | antibacterial agent |
| aurachin a | [no description available] | low | 0 | 0 | A-type aurachin;
furoquinoline;
quinoline N-oxide;
tertiary alcohol | antibacterial agent;
bacterial metabolite |
| tirapazamine | [no description available] | low | 0 | 0 | aromatic amine;
benzotriazines;
N-oxide | antibacterial agent;
antineoplastic agent;
apoptosis inducer |
| indolmycin | [no description available] | low | 0 | 0 | 1,3-oxazoles;
indoles;
secondary amino compound | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor |
| althiomycin | [no description available] | low | 0 | 0 | 1,3-thiazoles;
aldoxime;
ether;
gamma-lactam;
pentapeptide;
peptide antibiotic;
primary alcohol;
pyrroline;
secondary carboxamide;
tertiary carboxamide | antibacterial agent;
bacterial metabolite;
protein synthesis inhibitor |
| undecylprodigiosin | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
tripyrrole | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent |
| parathion | [no description available] | low | 0 | 0 | C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite |
| acephate | [no description available] | low | 0 | 0 | mixed diacylamine;
organic thiophosphate;
organothiophosphate insecticide;
phosphoramide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| carbofuran | [no description available] | low | 0 | 0 | 1-benzofurans;
carbamate ester | acaricide;
agrochemical;
avicide;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nematicide |
| chlorpyrifos | [no description available] | low | 0 | 0 | chloropyridine;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic |
| coumaphos | [no description available] | low | 0 | 0 | organic thiophosphate;
organochlorine compound;
organothiophosphate insecticide | acaricide;
agrochemical;
antinematodal drug;
avicide;
EC 3.1.1.8 (cholinesterase) inhibitor |
| diazinon | [no description available] | low | 0 | 0 | organic thiophosphate;
pyrimidines | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic |
| dimethoate | [no description available] | low | 0 | 0 | monocarboxylic acid amide;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic |
| disulfoton | [no description available] | low | 0 | 0 | organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| endosulfan | [no description available] | low | 0 | 0 | cyclic sulfite ester;
cyclodiene organochlorine insecticide | acaricide;
agrochemical;
GABA-gated chloride channel antagonist;
persistent organic pollutant |
| ethion | [no description available] | low | 0 | 0 | organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide |
| fenthion | [no description available] | low | 0 | 0 | organic thiophosphate | acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide |
| methamidophos | [no description available] | low | 0 | 0 | organic thiophosphate;
organothiophosphate insecticide;
phosphoramide | acaricide;
agrochemical;
avicide |
| methomyl | [no description available] | low | 0 | 0 | aliphatic sulfide;
carbamate ester | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
nematicide;
xenobiotic |
| methyl parathion | [no description available] | low | 0 | 0 | C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin |
| phorate | [no description available] | low | 0 | 0 | organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| phosalone | [no description available] | low | 0 | 0 | 1,3-benzoxazoles;
carbamate ester;
organochlorine insecticide;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| propoxur | [no description available] | low | 0 | 0 | aromatic ether;
carbamate ester | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| temefos | [no description available] | low | 0 | 0 | organic sulfide;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
ectoparasiticide |
| carbaryl | [no description available] | low | 0 | 0 | carbamate ester;
naphthalenes | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant |
| thiometon | [no description available] | low | 0 | 0 | organic thiophosphate;
organosulfur compound;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| phosmet | [no description available] | low | 0 | 0 | organic thiophosphate;
organothiophosphate insecticide;
phthalimides | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| demeton-s-methyl | [no description available] | low | 0 | 0 | organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| methidathion | [no description available] | low | 0 | 0 | organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| dichlofluanid | [no description available] | low | 0 | 0 | organochlorine compound;
organofluorine compound;
phenylsulfamide fungicide;
sulfamides | acaricide;
antifungal agrochemical |
| dimethoxon | [no description available] | low | 0 | 0 | organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| metolcarb | [no description available] | low | 0 | 0 | carbamate ester | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| aminocarb | [no description available] | low | 0 | 0 | carbamate ester;
toluenes | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
molluscicide |
| methiocarb | [no description available] | low | 0 | 0 | aryl sulfide;
carbamate ester;
methyl sulfide | acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
molluscicide;
xenobiotic |
| phenylphosphonothioic acid, 2-ethyl 2-(4-nitrophenyl) ester | [no description available] | low | 0 | 0 | organic phosphonate;
organothiophosphate insecticide;
phosphonic ester | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| mecarbam | [no description available] | low | 0 | 0 | carbamate ester;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| phenthoate, (+-)-isomer | [no description available] | low | 0 | 0 | ethyl ester;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| azinphos ethyl | [no description available] | low | 0 | 0 | organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| sulfotepp | [no description available] | low | 0 | 0 | organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| chlorpyrifos-methyl | [no description available] | low | 0 | 0 | chloropyridine;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic |
| usnic acid | [no description available] | low | 0 | 0 | dibenzofurans;
methyl ketone;
polyphenol | acaricide;
antifungal agent;
lichen metabolite |
| quinalphos | [no description available] | low | 0 | 0 | organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| benomyl | [no description available] | low | 0 | 0 | aromatic amide;
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | acaricide;
anthelminthic drug;
antifungal agrochemical;
microtubule-destabilising agent;
tubulin modulator |
| fenamiphos | [no description available] | low | 0 | 0 | organophosphate insecticide;
organophosphate nematicide;
phosphoramidate ester | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| formetanate | [no description available] | low | 0 | 0 | carbamate ester | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| fenitrothion | [no description available] | low | 0 | 0 | C-nitro compound;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide |
| triazophos | [no description available] | low | 0 | 0 | organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
nematicide |
| pirimiphos methyl | [no description available] | low | 0 | 0 | aminopyrimidine;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide |
| amitraz | [no description available] | low | 0 | 0 | formamidines;
tertiary amino compound | acaricide;
environmental contaminant;
insecticide;
xenobiotic |
| profenofos | [no description available] | low | 0 | 0 | monochlorobenzenes;
organic thiophosphate;
organochlorine insecticide;
organophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| dibutylaminosulfenylcarbofuran | [no description available] | low | 0 | 0 | 1-benzofurans;
carbamate ester | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
nematicide |
| heptenophos | [no description available] | low | 0 | 0 | organochlorine compound;
organophosphate insecticide;
trialkyl phosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| fluazuron | [no description available] | low | 0 | 0 | aromatic ether;
chloropyridine;
monochlorobenzenes;
N-acylurea;
organochlorine acaricide;
organofluorine acaricide;
phenylureas | acaricide;
mite growth regulator |
| sulfluramid | [no description available] | low | 0 | 0 | sulfonamide | acaricide;
environmental contaminant;
insecticide;
xenobiotic |
| fenazaquin | [no description available] | low | 0 | 0 | quinazolines | acaricide;
mitochondrial NADH:ubiquinone reductase inhibitor |
| acequinocyl | [no description available] | low | 0 | 0 | 1,4-naphthoquinones;
acetate ester | acaricide;
mitochondrial cytochrome-bc1 complex inhibitor |
| bifenazate | [no description available] | low | 0 | 0 | carboxylic ester | acaricide |
| 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile | [no description available] | low | 0 | 0 | monochlorobenzenes;
nitrile;
organobromine compound;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles | acaricide;
antifouling biocide;
insecticide |
| tetrachlorvinphos | [no description available] | low | 0 | 0 | alkenyl phosphate;
dialkyl phosphate;
organochlorine insecticide;
organophosphate insecticide;
trichlorobenzene | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| dicrotophos | [no description available] | low | 0 | 0 | dialkyl phosphate;
organophosphate insecticide | acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| monocrotophos | [no description available] | low | 0 | 0 | alkenyl phosphate;
dialkyl phosphate;
monocarboxylic acid amide;
organophosphate insecticide | acaricide;
agrochemical;
avicide;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| perillic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid | antineoplastic agent;
human metabolite;
mouse metabolite |
| pk 11195 | [no description available] | low | 0 | 0 | aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes | antineoplastic agent |
| pd 173074 | [no description available] | low | 0 | 0 | aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist |
| 5-(n,n-hexamethylene)amiloride | [no description available] | low | 0 | 0 | aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines | antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker |
| ro 48-8071 | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound | antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor |
| rtki cpd | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
quinazolines | antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector |
| alfuzosin | [no description available] | low | 0 | 0 | monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent |
| am 251 | [no description available] | low | 0 | 0 | amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles | antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist |
| am 580 | [no description available] | low | 0 | 0 | amidobenzoic acid;
tetralins | antineoplastic agent;
retinoic acid receptor alpha/beta agonist |
| aminoglutethimide | [no description available] | low | 0 | 0 | dicarboximide;
piperidones;
substituted aniline | adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| amsacrine | [no description available] | low | 0 | 0 | acridines;
aromatic ether;
sulfonamide | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| anastrozole | [no description available] | low | 0 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| azathioprine | [no description available] | low | 0 | 0 | aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine | antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug |
| berberine | [no description available] | low | 0 | 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 |
| buformin | [no description available] | low | 0 | 0 | biguanides | antineoplastic agent;
antiviral agent;
geroprotector;
hypoglycemic agent;
radiosensitizing agent |
| busulfan | [no description available] | low | 0 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent |
| camostat | [no description available] | low | 0 | 0 | benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide | anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor |
| cgs 15943 | [no description available] | low | 0 | 0 | aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline | adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant |
| chlorambucil | [no description available] | low | 0 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| ci 994 | [no description available] | low | 0 | 0 | acetamides;
benzamides;
substituted aniline | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| ciglitazone | [no description available] | low | 0 | 0 | aromatic ether;
thiazolidinone | antineoplastic agent;
insulin-sensitizing drug |
| cl 387785 | [no description available] | low | 0 | 0 | bromobenzenes;
quinazolines;
secondary carboxamide;
ynamide | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist |
| clofibric acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist |
| dacarbazine | [no description available] | low | 0 | 0 | imidazoles;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug |
| dequalinium | [no description available] | low | 0 | 0 | quinolinium ion | antifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor |
| 3,3'-diindolylmethane | [no description available] | low | 0 | 0 | indoles | antineoplastic agent;
P450 inhibitor |
| disulfiram | [no description available] | low | 0 | 0 | organic disulfide;
organosulfur acaricide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor |
| doxazosin | [no description available] | low | 0 | 0 | aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines | alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent |
| etanidazole | [no description available] | low | 0 | 0 | C-nitro compound;
imidazoles;
monocarboxylic acid amide | alkylating agent;
antineoplastic agent;
prodrug;
radiosensitizing agent |
| etidronate | [no description available] | low | 0 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent;
bone density conservation agent;
chelator |
| fluorouracil | [no description available] | low | 0 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| flutamide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide | androgen antagonist;
antineoplastic agent |
| miltefosine | [no description available] | low | 0 | 0 | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor |
| hydroxyurea | [no description available] | low | 0 | 0 | one-carbon compound;
ureas | antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent |
| ifosfamide | [no description available] | low | 0 | 0 | ifosfamides | alkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| leflunomide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide | antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor |
| letrozole | [no description available] | low | 0 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| lomustine | [no description available] | low | 0 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent |
| 6-anilino-5,8-quinolinedione | [no description available] | low | 0 | 0 | aminoquinoline;
aromatic amine;
p-quinones;
quinolone | antineoplastic agent;
EC 4.6.1.2 (guanylate cyclase) inhibitor |
| 4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | [no description available] | low | 0 | 0 | benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| meclofenamic acid | [no description available] | low | 0 | 0 | aminobenzoic acid;
organochlorine compound;
secondary amino compound | analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| nocodazole | [no description available] | low | 0 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes | antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator |
| midazolam | [no description available] | low | 0 | 0 | imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound | anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative |
| mitoxantrone | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
| entinostat | [no description available] | low | 0 | 0 | benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| n(1), n(12)-diethylspermine | [no description available] | low | 0 | 0 | polyazaalkane;
secondary amino compound;
substituted spermine;
tetramine | antineoplastic agent |
| nilutamide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone | androgen antagonist;
antineoplastic agent |
| nortriptyline | [no description available] | low | 0 | 0 | organic tricyclic compound;
secondary amine | adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite |
| n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | antineoplastic agent;
cyclooxygenase 2 inhibitor |
| oxyphenbutazone | [no description available] | low | 0 | 0 | phenols;
pyrazolidines | antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite |
| pd 158780 | [no description available] | low | 0 | 0 | aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| 4-phenylbutyric acid | [no description available] | low | 0 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
| oxophenylarsine | [no description available] | low | 0 | 0 | arsine oxides | antineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
| pipobroman | [no description available] | low | 0 | 0 | N-acylpiperazine;
organobromine compound;
tertiary carboxamide | alkylating agent;
antineoplastic agent |
| pj-34 | [no description available] | low | 0 | 0 | phenanthridines;
secondary carboxamide;
tertiary amino compound | angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent |
| procarbazine | [no description available] | low | 0 | 0 | benzamides;
hydrazines | antineoplastic agent |
| salicylsalicylic acid | [no description available] | low | 0 | 0 | benzoate ester;
benzoic acids;
phenols;
salicylates | antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| semustine | [no description available] | low | 0 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent |
| imatinib | [no description available] | low | 0 | 0 | aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines | antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor |
| streptonigrin | [no description available] | low | 0 | 0 | pyridines;
quinolone | antimicrobial agent;
antineoplastic agent |
| SU6656 | [no description available] | low | 0 | 0 | oxindoles;
sulfonamide | antineoplastic agent;
Aurora kinase inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| vorinostat | [no description available] | low | 0 | 0 | dicarboxylic acid diamide;
hydroxamic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| suramin | [no description available] | low | 0 | 0 | naphthalenesulfonic acid;
phenylureas;
secondary carboxamide | angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug |
| temozolomide | [no description available] | low | 0 | 0 | imidazotetrazine;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
prodrug |
| terazosin | [no description available] | low | 0 | 0 | furans;
piperazines;
primary amino compound;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent |
| 2,2'-thiodiethanol | [no description available] | low | 0 | 0 | aliphatic sulfide;
diol | antineoplastic agent;
antioxidant;
metabolite;
solvent |
| tilorone | [no description available] | low | 0 | 0 | aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound | anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist |
| troglitazone | [no description available] | low | 0 | 0 | chromanes;
thiazolidinone | anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent |
| 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | [no description available] | low | 0 | 0 | aromatic primary alcohol;
furans;
indazoles | antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent |
| mitomycin | [no description available] | low | 0 | 0 | mitomycin | alkylating agent;
antineoplastic agent |
| prednisolone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| floxuridine | [no description available] | low | 0 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent |
| prednisone | [no description available] | low | 0 | 0 | 11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug |
| estrone | [no description available] | low | 0 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
| azauridine | [no description available] | low | 0 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite;
antineoplastic agent;
drug metabolite |
| mechlorethamine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
| allyl isothiocyanate | [no description available] | low | 0 | 0 | alkenyl isothiocyanate;
isothiocyanate | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite |
| methyltestosterone | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone | anabolic agent;
androgen;
antineoplastic agent |
| dromostanolone | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-oxo-5alpha-steroid;
anabolic androgenic steroid | anabolic agent;
antineoplastic agent |
| bromodeoxyuridine | [no description available] | low | 0 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent |
| tributyrin | [no description available] | low | 0 | 0 | butyrate ester;
triglyceride | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug;
protective agent |
| ethyl methanesulfonate | [no description available] | low | 0 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent |
| triaziquone | [no description available] | low | 0 | 0 | 1,4-benzoquinones;
aziridines | alkylating agent;
antineoplastic agent |
| tubercidin | [no description available] | low | 0 | 0 | antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside | antimetabolite;
antineoplastic agent;
bacterial metabolite |
| cytarabine | [no description available] | low | 0 | 0 | beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside | antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent |
| trifluridine | [no description available] | low | 0 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor |
| medroxyprogesterone acetate | [no description available] | low | 0 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester | adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive |
| fluoxymesterone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid | anabolic agent;
antineoplastic agent |
| phenformin | [no description available] | low | 0 | 0 | biguanides | antineoplastic agent;
geroprotector;
hypoglycemic agent |
| dibenzoylmethane | [no description available] | low | 0 | 0 | aromatic ketone;
beta-diketone | antimutagen;
antineoplastic agent;
metabolite |
| suramin sodium | [no description available] | low | 0 | 0 | organic sodium salt | angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug |
| pyrazolanthrone | [no description available] | low | 0 | 0 | anthrapyrazole;
aromatic ketone;
cyclic ketone | antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector |
| azacitidine | [no description available] | low | 0 | 0 | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent |
| diazomethane | [no description available] | low | 0 | 0 | diazo compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
poison |
| procarbazine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
| 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 |
| lucanthone | [no description available] | low | 0 | 0 | thioxanthenes | adjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug |
| dequalinium chloride | [no description available] | low | 0 | 0 | organic chloride salt | antifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor |
| formestane | [no description available] | low | 0 | 0 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| chlorotrianisene | [no description available] | low | 0 | 0 | chloroalkene | antineoplastic agent;
estrogen receptor modulator;
xenoestrogen |
| megestrol acetate | [no description available] | low | 0 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive |
| toyocamycin | [no description available] | low | 0 | 0 | antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside | antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite |
| 2-hydroxyacetanilide | [no description available] | low | 0 | 0 | acetamides;
phenols | anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite |
| methoxyacetic acid | [no description available] | low | 0 | 0 | ether;
monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen |
| hadacidin | [no description available] | low | 0 | 0 | aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid | antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent |
| 2-fluoroadenine | [no description available] | low | 0 | 0 | organofluorine compound;
purines | antineoplastic agent |
| tetramethylpyrazine | [no description available] | low | 0 | 0 | alkaloid;
pyrazines | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent |
| guanazole | [no description available] | low | 0 | 0 | aromatic amine;
triazoles | antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor |
| diallyl trisulfide | [no description available] | low | 0 | 0 | organic trisulfide | anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent |
| phenethyl isothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate | antineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite |
| acadesine | [no description available] | low | 0 | 0 | 1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue | antineoplastic agent;
platelet aggregation inhibitor |
| doxifluridine | [no description available] | low | 0 | 0 | organofluorine compound;
pyrimidine 5'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
prodrug |
| megestrol | [no description available] | low | 0 | 0 | 17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive |
| mitomycin a | [no description available] | low | 0 | 0 | ether;
mitomycin | alkylating agent;
antimicrobial agent;
antineoplastic agent;
toxin |
| cladribine | [no description available] | low | 0 | 0 | organochlorine compound;
purine 2'-deoxyribonucleoside | antineoplastic agent;
immunosuppressive agent |
| tabersonine | [no description available] | low | 0 | 0 | alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound | antineoplastic agent;
metabolite |
| vidarabine | [no description available] | low | 0 | 0 | beta-D-arabinoside;
purine nucleoside | antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic |
| cyclophosphamide | [no description available] | low | 0 | 0 | hydrate | alkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent |
| etidronate disodium | [no description available] | low | 0 | 0 | organic sodium salt | antineoplastic agent;
bone density conservation agent;
chelator |
| nsc-145,668 | [no description available] | low | 0 | 0 | hydrochloride | antimetabolite;
antineoplastic agent |
| ancitabine | [no description available] | low | 0 | 0 | diol;
organic heterotricyclic compound | antimetabolite;
antineoplastic agent;
prodrug |
| clodronic acid | [no description available] | low | 0 | 0 | 1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound | antineoplastic agent;
bone density conservation agent |
| streptozocin | [no description available] | low | 0 | 0 | N-acylglucosamine;
N-nitrosoureas | antimicrobial agent;
antineoplastic agent;
DNA synthesis inhibitor;
metabolite |
| daunorubicin | [no description available] | low | 0 | 0 | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite |
| fludarabine phosphate | [no description available] | low | 0 | 0 | nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate | antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug |
| 2,6-diaminopurine | [no description available] | low | 0 | 0 | 2,6-diaminopurines;
primary amino compound | antineoplastic agent |
| glucaric acid | [no description available] | low | 0 | 0 | glucaric acid | antineoplastic agent |
| etoposide | [no description available] | low | 0 | 0 | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor |
| promegestone | [no description available] | low | 0 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid | antineoplastic agent;
progesterone receptor agonist;
progestin |
| perfosfamide | [no description available] | low | 0 | 0 | nitrogen mustard;
organochlorine compound;
peroxol;
phosphorodiamide | alkylating agent;
antineoplastic agent;
drug allergen;
immunosuppressive agent;
metabolite |
| nimustine | [no description available] | low | 0 | 0 | aminopyrimidine;
N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent |
| lonidamine | [no description available] | low | 0 | 0 | dichlorobenzene;
indazoles;
monocarboxylic acid | antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector |
| vindesine | [no description available] | low | 0 | 0 | methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent |
| epirubicin | [no description available] | low | 0 | 0 | aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| diaziquone | [no description available] | low | 0 | 0 | 1,4-benzoquinones;
aziridines;
carbamate ester;
enamine | alkylating agent;
antineoplastic agent |
| midazolam hydrochloride | [no description available] | low | 0 | 0 | hydrochloride;
imidazobenzodiazepine | anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative |
| oltipraz | [no description available] | low | 0 | 0 | 1,2-dithiole;
pyrazines | angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug |
| fazarabine | [no description available] | low | 0 | 0 | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent |
| mitoxantrone hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
| bisantrene | [no description available] | low | 0 | 0 | anthracenes;
hydrazone;
imidazolidines | antineoplastic agent |
| lovastatin | [no description available] | low | 0 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug |
| cabergoline | [no description available] | low | 0 | 0 | N-acylurea | antineoplastic agent;
antiparkinson drug;
dopamine agonist |
| nitrogenase stabilizing-protective protein, bacteria | [no description available] | low | 0 | 0 | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | androgen antagonist;
antineoplastic agent |
| bmy 25067 | [no description available] | low | 0 | 0 | C-nitro compound;
organic disulfide | antineoplastic agent |
| brequinar | [no description available] | low | 0 | 0 | biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid | anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor |
| imiquimod | [no description available] | low | 0 | 0 | imidazoquinoline | antineoplastic agent;
interferon inducer |
| aromasil | [no description available] | low | 0 | 0 | 17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic |
| cidofovir anhydrous | [no description available] | low | 0 | 0 | phosphonic acids;
pyrimidone | anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent |
| topotecan | [no description available] | low | 0 | 0 | pyranoindolizinoquinoline | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor |
| gemcitabine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride;
organofluorine compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent |
| gemcitabine | [no description available] | low | 0 | 0 | organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic |
| irinotecan | [no description available] | low | 0 | 0 | carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug |
| capecitabine | [no description available] | low | 0 | 0 | carbamate ester;
cytidines;
organofluorine compound | antimetabolite;
antineoplastic agent;
prodrug |
| nelfinavir mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | antineoplastic agent;
HIV protease inhibitor |
| nelfinavir | [no description available] | low | 0 | 0 | aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound | antineoplastic agent;
HIV protease inhibitor |
| ro 5-3335 | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone;
organochlorine compound;
pyrroles | anti-HIV-1 agent;
antineoplastic agent;
HIV-1 Tat inhibitor;
RUNX1 inhibitor |
| plerixafor | [no description available] | low | 0 | 0 | azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound | anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant |
| pyrrolidine dithiocarbamate | [no description available] | low | 0 | 0 | dithiocarbamic acids;
pyrrolidines | anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger |
| triptonide | [no description available] | low | 0 | 0 | butenolide;
cyclic ketone;
diterpene triepoxide;
organic heteroheptacyclic compound | anti-inflammatory agent;
antineoplastic agent;
immunosuppressive agent |
| 3'-deoxyadenosine 5'-triphosphate | [no description available] | low | 0 | 0 | purine ribonucleoside 5'-triphosphate | antifungal agent;
antimetabolite;
antineoplastic agent;
antiviral agent |
| 2-methoxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid | angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite |
| lupulon | [no description available] | low | 0 | 0 | beta-bitter acid | angiogenesis inhibitor;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer |
| pinocembrin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
dihydroxyflavanone | antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent |
| ethinylestradiol-3-sulfate | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
steroid sulfate | antineoplastic agent;
estrogen |
| lonazolac | [no description available] | low | 0 | 0 | monocarboxylic acid;
monochlorobenzenes;
pyrazoles | antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| bromopyruvate | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid;
organobromine compound;
oxo carboxylic acid | alkylating agent;
antineoplastic agent |
| dexrazoxane | [no description available] | low | 0 | 0 | razoxane | antineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent |
| masoprocol | [no description available] | low | 0 | 0 | nordihydroguaiaretic acid | antineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite |
| dw a 2114r | [no description available] | low | 0 | 0 | platinum coordination entity;
pyrrolidines | antineoplastic agent |
| prednisolone phosphate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
glucocorticoid;
steroid phosphate;
tertiary alpha-hydroxy ketone | anti-inflammatory agent;
antineoplastic agent;
glucocorticoid receptor agonist;
prodrug |
| betulin | [no description available] | low | 0 | 0 | diol;
pentacyclic triterpenoid | analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite |
| dehydrocostus lactone | [no description available] | low | 0 | 0 | gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone | antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug |
| tetrazolium violet | [no description available] | low | 0 | 0 | organic chloride salt | antineoplastic agent;
apoptosis inducer;
dye |
| irinotecan hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug |
| 5-(3-methyl-1-triazeno)imidazole-4-carboxamide | [no description available] | low | 0 | 0 | imidazoles;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent |
| hydroxyguanidine | [no description available] | low | 0 | 0 | guanidines;
one-carbon compound | antineoplastic agent;
antiviral agent |
| bexarotene | [no description available] | low | 0 | 0 | benzoic acids;
naphthalenes;
retinoid | antineoplastic agent |
| 3,4-dihydroxyphenylethanol | [no description available] | low | 0 | 0 | catechols;
primary alcohol | antineoplastic agent;
antioxidant;
metabolite |
| 4-methylumbelliferyl glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid;
coumarins;
monosaccharide derivative | antineoplastic agent;
chromogenic compound;
hyaluronan synthesis inhibitor |
| 9-hydroxyellipticine | [no description available] | low | 0 | 0 | organic heterotetracyclic compound;
organonitrogen heterocyclic compound | antineoplastic agent |
| nimustine | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
| alpha-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols | antineoplastic agent;
metabolite |
| cryptopleurine | [no description available] | low | 0 | 0 | alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound | antineoplastic agent;
antiviral agent;
protein synthesis inhibitor |
| eupatorin | [no description available] | low | 0 | 0 | dihydroxyflavone;
polyphenol;
trimethoxyflavone | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
Brassica napus metabolite;
calcium channel blocker;
P450 inhibitor;
vasodilator agent |
| 1-methyltryptophan | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
tryptophan derivative | antineoplastic agent;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor |
| diosgenin | [no description available] | low | 0 | 0 | 3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal | antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite |
| alpha-glutamyltryptophan | [no description available] | low | 0 | 0 | dipeptide | angiogenesis modulating agent;
antineoplastic agent;
immunomodulator;
metabolite |
| fulvestrant | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide | antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist |
| ici 164384 | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
tertiary carboxamide | anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist |
| sn 38 | [no description available] | low | 0 | 0 | delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol | antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor |
| hc toxin | [no description available] | low | 0 | 0 | homodetic cyclic peptide;
tetrapeptide | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
metabolite;
phytotoxin |
| fingolimod | [no description available] | low | 0 | 0 | aminodiol;
primary amino compound | antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist |
| tamibarotene | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide;
retinoid;
tetralins | antineoplastic agent;
retinoic acid receptor alpha/beta agonist |
| ecteinascidin 743 | [no description available] | low | 0 | 0 | acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound | alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite |
| homoorientin | [no description available] | low | 0 | 0 | flavone C-glycoside;
tetrahydroxyflavone | antineoplastic agent;
radical scavenger |
| selenomethylselenocysteine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
selenocysteines | antineoplastic agent;
human metabolite |
| tephrosin | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
pesticide |
| 5-(tetradecyloxy)-2-furancarboxylic acid | [no description available] | low | 0 | 0 | aromatic ether;
furoic acid | antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist |
| sc 58125 | [no description available] | low | 0 | 0 | organofluorine compound;
pyrazoles;
sulfone | antineoplastic agent;
cyclooxygenase 2 inhibitor |
| marimastat | [no description available] | low | 0 | 0 | hydroxamic acid;
secondary carboxamide | antineoplastic agent;
matrix metalloproteinase inhibitor |
| clofarabine | [no description available] | low | 0 | 0 | adenosines;
organofluorine compound | antimetabolite;
antineoplastic agent |
| dioscin | [no description available] | low | 0 | 0 | hexacyclic triterpenoid;
spiroketal;
spirostanyl glycoside;
trisaccharide derivative | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 1.14.18.1 (tyrosinase) inhibitor;
hepatoprotective agent;
metabolite |
| trapoxin a | [no description available] | low | 0 | 0 | epoxide;
homodetic cyclic peptide;
ketone | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
fungal metabolite |
| celastrol | [no description available] | low | 0 | 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] | low | 0 | 0 | furonaphthodioxole;
organic heterotetracyclic compound;
phenols | antineoplastic agent |
| imatinib mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor |
| aminolevulinic acid hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug |
| gefitinib | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
| cgp 42112a | [no description available] | low | 0 | 0 | benzyl ester;
oligopeptide;
pyridinecarboxamide | angiotensin receptor agonist;
anti-inflammatory agent;
antineoplastic agent;
neuroprotective agent;
vasodilator agent |
| vadimezan | [no description available] | low | 0 | 0 | monocarboxylic acid;
xanthones | antineoplastic agent |
| 4-carbamoylimidazolium 5-olate | [no description available] | low | 0 | 0 | hydroxyimidazole;
monocarboxylic acid amide | antineoplastic agent |
| nsc 224070 | [no description available] | low | 0 | 0 | 1,4-benzoquinones;
aziridines;
enamine;
primary alcohol;
secondary amino compound | alkylating agent;
antineoplastic agent |
| ay 25545 | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine | antimicrobial agent;
antineoplastic agent;
bacterial metabolite |
| methotrexate | [no description available] | low | 0 | 0 | dicarboxylic acid;
monocarboxylic acid amide;
pteridines | abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent |
| 3,7-dihydroxytropolone | [no description available] | low | 0 | 0 | alpha-hydroxy ketone;
cyclic ketone;
enol;
triol | antineoplastic agent;
bacterial metabolite |
| tamsulosin | [no description available] | low | 0 | 0 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist;
antineoplastic agent |
| saintopin | [no description available] | low | 0 | 0 | tetracenequinones | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
fungal metabolite;
intercalator |
| 6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene | [no description available] | low | 0 | 0 | monoterpenoid;
organobromine compound;
organochlorine compound | algal metabolite;
antineoplastic agent;
marine metabolite |
| abiraterone | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines | antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor |
| yakuchinone-a | [no description available] | low | 0 | 0 | ketone;
monomethoxybenzene;
phenols | antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite |
| pomalidomide | [no description available] | low | 0 | 0 | aromatic amine;
dicarboximide;
isoindoles;
piperidones | angiogenesis inhibitor;
antineoplastic agent;
immunomodulator |
| tempol | [no description available] | low | 0 | 0 | aminoxyls;
hydroxypiperidine | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger |
| selenomethylselenocysteine | [no description available] | low | 0 | 0 | amino acid zwitterion;
L-selenocysteine derivative;
non-proteinogenic L-alpha-amino acid;
Se-methylselenocysteine | antineoplastic agent |
| 10-propargyl-10-deazaaminopterin | [no description available] | low | 0 | 0 | N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound | antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| docetaxel | [no description available] | low | 0 | 0 | hydrate;
secondary alpha-hydroxy ketone | antineoplastic agent |
| docetaxel anhydrous | [no description available] | low | 0 | 0 | secondary alpha-hydroxy ketone;
tetracyclic diterpenoid | antimalarial;
antineoplastic agent;
photosensitizing agent |
| lonafarnib | [no description available] | low | 0 | 0 | 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide | antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| 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 |
| 6-azauridine-5'-monophosphate | [no description available] | low | 0 | 0 | N-glycosyl-1,2,4-triazine;
nucleoside monophosphate analogue | antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor |
| ptk 787 | [no description available] | low | 0 | 0 | succinate salt | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist |
| vatalanib | [no description available] | low | 0 | 0 | monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist |
| cyc 682 | [no description available] | low | 0 | 0 | nitrile;
nucleoside analogue;
secondary carboxamide | antimetabolite;
antineoplastic agent;
DNA synthesis inhibitor;
prodrug |
| canertinib | [no description available] | low | 0 | 0 | monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines | antineoplastic agent;
tyrosine kinase inhibitor |
| methyl 5-aminolevulinate hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug |
| methyl 5-aminolevulinate | [no description available] | low | 0 | 0 | delta-amino acid ester | antineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug |
| tipifarnib | [no description available] | low | 0 | 0 | imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| aklavinone | [no description available] | low | 0 | 0 | anthracycline;
methyl ester;
tertiary alcohol;
tetracenequinones | antineoplastic agent |
| i-677 | [no description available] | low | 0 | 0 | L-serine derivative;
non-proteinogenic L-alpha-amino acid | antimetabolite;
antimicrobial agent;
antineoplastic agent;
metabolite |
| anonaine | [no description available] | low | 0 | 0 | aporphine alkaloid;
organic heteropentacyclic compound;
oxacycle | antineoplastic agent;
antiplasmodial drug;
trypanocidal drug |
| deferrioxamine e | [no description available] | low | 0 | 0 | cyclic desferrioxamine;
cyclic hydroxamic acid;
macrocycle | antineoplastic agent;
bacterial metabolite;
marine metabolite;
siderophore |
| ampelopsin | [no description available] | low | 0 | 0 | dihydromyricetin;
secondary alpha-hydroxy ketone | antineoplastic agent;
antioxidant;
metabolite |
| methylselenic acid | [no description available] | low | 0 | 0 | one-carbon compound;
organoselenium compound | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
human xenobiotic metabolite |
| withanolide d | [no description available] | low | 0 | 0 | 20-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
tertiary alcohol;
withanolide | antineoplastic agent |
| pannarin | [no description available] | low | 0 | 0 | aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite |
| 6-methylthiohexyl isothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate;
methyl sulfide | antineoplastic agent;
Arabidopsis thaliana metabolite;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
neuroprotective agent |
| 5-o-methylembelin | [no description available] | low | 0 | 0 | enol ether;
monohydroxy-1,4-benzoquinones | antileishmanial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
metabolite |
| asperphenamate | [no description available] | low | 0 | 0 | benzamides;
carboxylic ester;
L-phenylalanine derivative | antineoplastic agent |
| erlotinib | [no description available] | low | 0 | 0 | aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound | antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor |
| erlotinib hydrochloride | [no description available] | low | 0 | 0 | hydrochloride;
terminal acetylenic compound | antineoplastic agent;
protein kinase inhibitor |
| corynoline | [no description available] | low | 0 | 0 | benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol | antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite |
| top 53 | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| minquartynoic acid | [no description available] | low | 0 | 0 | acetylenic fatty acid;
hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
straight-chain fatty acid;
tetrayne | antimalarial;
antineoplastic agent;
antiviral agent |
| scutellarin | [no description available] | low | 0 | 0 | glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antineoplastic agent;
proteasome inhibitor |
| 2,5-dihydroxybenzyl alcohol | [no description available] | low | 0 | 0 | aromatic primary alcohol;
phenols | antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite |
| lanperisone | [no description available] | low | 0 | 0 | 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one | antineoplastic agent;
calcium channel blocker;
ferroptosis inducer;
muscle relaxant;
voltage-gated sodium channel blocker |
| orantinib | [no description available] | low | 0 | 0 | monocarboxylic acid;
oxindoles;
pyrroles | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist |
| lapatinib | [no description available] | low | 0 | 0 | furans;
organochlorine compound;
organofluorine compound;
quinazolines | antineoplastic agent;
tyrosine kinase inhibitor |
| firocoxib | [no description available] | low | 0 | 0 | butenolide;
cyclopropanes;
enol ether;
sulfone | antineoplastic agent;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| 2-(4-morpholinoanilino)-6-cyclohexylaminopurine | [no description available] | low | 0 | 0 | morpholines;
purines;
secondary amino compound;
tertiary amino compound | adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent |
| sorafenib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide | angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor |
| lenalidomide | [no description available] | low | 0 | 0 | aromatic amine;
dicarboximide;
isoindoles;
piperidones | angiogenesis inhibitor;
antineoplastic agent;
immunomodulator |
| lasofoxifene | [no description available] | low | 0 | 0 | aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins | antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist |
| l 778,123 | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor;
radiosensitizing agent |
| l 778,123 | [no description available] | low | 0 | 0 | imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound | antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor |
| n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide | [no description available] | low | 0 | 0 | chloroindole;
organochlorine compound;
sulfonamide | antineoplastic agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| diflomotecan | [no description available] | low | 0 | 0 | epsilon-lactone;
organic heteropentacyclic compound;
organofluorine compound;
organonitrogen heterocyclic compound;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor |
| demecolcine | [no description available] | low | 0 | 0 | alkaloid;
secondary amino compound | antineoplastic agent;
microtubule-destabilising agent |
| dromostanolone propionate | [no description available] | low | 0 | 0 | 3-oxo-5alpha-steroid;
steroid ester | antineoplastic agent |
| vincristine sulfate | [no description available] | low | 0 | 0 | organic sulfate salt | antineoplastic agent;
geroprotector |
| anisomycin | [no description available] | low | 0 | 0 | monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor |
| estramustine | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
carbamate ester;
organochlorine compound | alkylating agent;
antineoplastic agent;
radiation protective agent |
| homoharringtonine | [no description available] | low | 0 | 0 | alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor |
| acivicin | [no description available] | low | 0 | 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 |
| elesclomol | [no description available] | low | 0 | 0 | carbohydrazide;
thiocarbonyl compound | antineoplastic agent;
apoptosis inducer |
| wortmannin | [no description available] | low | 0 | 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 |
| rocaglamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound | antileishmanial agent;
antineoplastic agent;
metabolite |
| acronine | [no description available] | low | 0 | 0 | acridone derivatives;
alkaloid | antineoplastic agent;
metabolite |
| o-(chloroacetylcarbamoyl)fumagillol | [no description available] | low | 0 | 0 | carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide | angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist |
| bortezomib | [no description available] | low | 0 | 0 | amino acid amide;
L-phenylalanine derivative;
pyrazines | antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor |
| gant 61 | [no description available] | low | 0 | 0 | aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor |
| carnosine | [no description available] | low | 0 | 0 | amino acid zwitterion;
dipeptide | anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent |
| puromycin | [no description available] | low | 0 | 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 |
| pentostatin | [no description available] | low | 0 | 0 | coformycins | antimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor |
| hippeastrine | [no description available] | low | 0 | 0 | delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol | antineoplastic agent;
metabolite |
| peonidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent;
antioxidant;
apoptosis inducer;
metabolite |
| 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 |
| naringin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside | anti-inflammatory agent;
antineoplastic agent;
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 |
| syringaresinol | [no description available] | low | 0 | 0 | syringaresinol | antineoplastic agent |
| enkephalin, methionine | [no description available] | low | 0 | 0 | pentapeptide;
peptide zwitterion | analgesic;
antineoplastic agent;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist |
| devazepide | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone;
indolecarboxamide | antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug |
| kerriamycin b | [no description available] | low | 0 | 0 | angucycline antibiotic | antineoplastic agent |
| carubicin | [no description available] | low | 0 | 0 | aminoglycoside antibiotic;
anthracycline antibiotic;
p-quinones;
tertiary alpha-hydroxy ketone;
tetracenequinones | antineoplastic agent;
apoptosis inducer |
| tretinoin | [no description available] | low | 0 | 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 |
| docosahexaenoate | [no description available] | low | 0 | 0 | docosahexaenoic acid;
omega-3 fatty acid | algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical |
| eicosapentaenoic acid | [no description available] | low | 0 | 0 | icosapentaenoic acid;
omega-3 fatty acid | anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| mycophenolic acid | [no description available] | low | 0 | 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 |
| formycin | [no description available] | low | 0 | 0 | formycin | antineoplastic agent |
| neocarzinostatin chromophore | [no description available] | low | 0 | 0 | cyclopentacyclononaoxirene;
D-galactosaminide;
dioxolane;
monosaccharide derivative;
naphthoate ester | antineoplastic agent |
| epothilone b | [no description available] | low | 0 | 0 | epothilone;
epoxide | antineoplastic agent;
apoptosis inducer;
microtubule-stabilising agent |
| adenosine-5'-(n-ethylcarboxamide) | [no description available] | low | 0 | 0 | adenosines;
monocarboxylic acid amide | adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent |
| n(1)-guanyl-1,7-diaminoheptane | [no description available] | low | 0 | 0 | guanidines;
primary amino compound | antineoplastic agent;
EC 2.5.1.46 (deoxyhypusine synthase) inhibitor |
| diethylstilbestrol | [no description available] | low | 0 | 0 | olefinic compound;
polyphenol | antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen |
| bms 214662 | [no description available] | low | 0 | 0 | benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| epothilone a | [no description available] | low | 0 | 0 | epothilone;
epoxide | antineoplastic agent;
metabolite;
microtubule-stabilising agent;
tubulin modulator |
| 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine | [no description available] | low | 0 | 0 | 6-aminopurines;
acetylenic compound;
methoxybenzenes;
monochlorobenzenes;
organofluorine compound | antineoplastic agent;
Hsp90 inhibitor |
| alitretinoin | [no description available] | low | 0 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist |
| afimoxifene | [no description available] | low | 0 | 0 | phenols;
tertiary amino compound | antineoplastic agent;
estrogen receptor antagonist;
metabolite |
| aclarubicin | [no description available] | low | 0 | 0 | aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| teniposide | [no description available] | low | 0 | 0 | aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| steviol | [no description available] | low | 0 | 0 | bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid | antineoplastic agent |
| tiazofurin | [no description available] | low | 0 | 0 | 1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide | antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug |
| aphidicolin | [no description available] | low | 0 | 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 |
| 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 |
| melphalan | [no description available] | low | 0 | 0 | L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| prinomastat | [no description available] | low | 0 | 0 | aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor |
| rubitecan | [no description available] | low | 0 | 0 | C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug |
| arsenic trioxide | [no description available] | low | 0 | 0 | arsenic oxide | antineoplastic agent;
insecticide |
| isoliquiritigenin | [no description available] | low | 0 | 0 | chalcones | antineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist |
| xanthohumol | [no description available] | low | 0 | 0 | aromatic ether;
chalcones;
polyphenol | anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite |
| s 1033 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor |
| trilostane | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile | abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor |
| leuprolide acetate | [no description available] | low | 0 | 0 | acetate salt | antineoplastic agent;
gonadotropin releasing hormone agonist |
| leuprolide | [no description available] | low | 0 | 0 | oligopeptide | anti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist |
| mercaptopurine | [no description available] | low | 0 | 0 | aryl thiol;
purines;
thiocarbonyl compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| iFSP1 | [no description available] | low | 0 | 0 | aromatic amine;
nitrile;
primary amino compound;
pyridobenzimidazole;
toluenes | antineoplastic agent;
ferroptosis inducer;
ferroptosis suppressor protein 1 inhibitor |
| 4-iodo-6-phenylpyrimidine | [no description available] | low | 0 | 0 | biaryl;
organoiodine compound;
pyrimidines | antineoplastic agent;
apoptosis inducer;
macrophage migration inhibitory factor inhibitor |
| oncrasin-1 | [no description available] | low | 0 | 0 | arenecarbaldehyde;
indoles;
monochlorobenzenes | antineoplastic agent;
apoptosis inducer |
| curcumin | [no description available] | low | 0 | 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 |
| cct018159 | [no description available] | low | 0 | 0 | benzodioxine;
pyrazoles;
resorcinols | antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor |
| sulindac | [no description available] | low | 0 | 0 | monocarboxylic acid;
organofluorine compound;
sulfoxide | analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent |
| xl147 | [no description available] | low | 0 | 0 | aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| mcb-613 | [no description available] | low | 0 | 0 | cyclic ketone;
enone;
pyridines | antineoplastic agent;
steroid receptor coactivator stimulator |
| thioguanine anhydrous | [no description available] | low | 0 | 0 | 2-aminopurines | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| tamoxifen | [no description available] | low | 0 | 0 | stilbenoid;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator |
| stattic | [no description available] | low | 0 | 0 | 1-benzothiophenes;
C-nitro compound;
sulfone | antineoplastic agent;
radiosensitizing agent;
STAT3 inhibitor |
| krn 7000 | [no description available] | low | 0 | 0 | glycophytoceramide;
N-acyl-beta-D-galactosylphytosphingosine | allergen;
antigen;
antineoplastic agent;
epitope;
immunological adjuvant |
| 10058-F4 | [no description available] | low | 0 | 0 | olefinic compound;
thiazolidinone | antineoplastic agent;
apoptosis inducer |
| monastrol | [no description available] | low | 0 | 0 | enoate ester;
ethyl ester;
phenols;
racemate;
thioureas | antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor |
| toremifene | [no description available] | low | 0 | 0 | aromatic ether;
organochlorine compound;
tertiary amine | antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| u 0126 | [no description available] | low | 0 | 0 | aryl sulfide;
dinitrile;
enamine;
substituted aniline | antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent |
| beauvericin | [no description available] | low | 0 | 0 | cyclodepsipeptide | antibiotic insecticide;
antifungal agent;
antineoplastic agent;
apoptosis inhibitor;
fungal metabolite;
ionophore;
mycotoxin;
P450 inhibitor |
| nelarabine | [no description available] | low | 0 | 0 | beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside | antineoplastic agent;
DNA synthesis inhibitor;
prodrug |
| bms 387032 | [no description available] | low | 0 | 0 | 1,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| amrubicin | [no description available] | low | 0 | 0 | anthracycline antibiotic;
methyl ketone;
primary amino compound;
quinone;
tetracenes | antineoplastic agent;
prodrug;
topoisomerase II inhibitor |
| ospemifene | [no description available] | low | 0 | 0 | aromatic ether;
organochlorine compound;
primary alcohol | anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator |
| tandutinib | [no description available] | low | 0 | 0 | aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| dasatinib | [no description available] | low | 0 | 0 | 1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor |
| emetine dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor |
| zd 6474 | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine | antineoplastic agent;
tyrosine kinase inhibitor |
| l 663536 | [no description available] | low | 0 | 0 | aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes | antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist |
| 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | [no description available] | low | 0 | 0 | benzenes;
thiadiazolidine | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent |
| sc 560 | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles | angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug |
| alsterpaullone | [no description available] | low | 0 | 0 | C-nitro compound;
caprolactams;
organic heterotetracyclic compound | anti-HIV-1 agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor |
| ginkgetin | [no description available] | low | 0 | 0 | biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly | anti-HSV-1 agent;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite |
| eupatilin | [no description available] | low | 0 | 0 | dihydroxyflavone;
trimethoxyflavone | anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite |
| apigenin | [no description available] | low | 0 | 0 | trihydroxyflavone | antineoplastic agent;
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 |
| hymecromone | [no description available] | low | 0 | 0 | hydroxycoumarin | antineoplastic agent;
hyaluronic acid synthesis inhibitor |
| chrysoeriol | [no description available] | low | 0 | 0 | monomethoxyflavone;
trihydroxyflavone | antineoplastic agent;
antioxidant;
metabolite |
| dexmedetomidine | [no description available] | low | 0 | 0 | trihydroxyflavone;
trimethoxyflavone | antineoplastic agent;
metabolite |
| bryostatin 1 | [no description available] | low | 0 | 0 | acetate ester;
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol | alpha-secretase activator;
anti-HIV-1 agent;
antineoplastic agent;
marine metabolite;
protein kinase C agonist |
| 9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2 | [no description available] | low | 0 | 0 | prostaglandins J;
secondary alcohol | antineoplastic agent;
antiviral agent |
| pyrvinium | [no description available] | low | 0 | 0 | quinolinium ion | anthelminthic drug;
antineoplastic agent |
| daphnoretin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxycoumarin | antineoplastic agent;
antiviral agent;
metabolite |
| costunolide | [no description available] | low | 0 | 0 | germacranolide;
heterobicyclic compound | anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite |
| agathisflavone | [no description available] | low | 0 | 0 | biaryl;
biflavonoid;
hydroxyflavone | antineoplastic agent;
antiviral agent;
hepatoprotective agent;
metabolite |
| hinokiflavone | [no description available] | low | 0 | 0 | aromatic ether;
biflavonoid;
hydroxyflavone | antineoplastic agent;
metabolite;
neuroprotective agent |
| robustaflavone | [no description available] | low | 0 | 0 | biflavonoid;
hydroxyflavone;
ring assembly | anti-HBV agent;
antineoplastic agent;
antioxidant;
metabolite |
| tricetin | [no description available] | low | 0 | 0 | pentahydroxyflavone | antineoplastic agent;
metabolite |
| astringin | [no description available] | low | 0 | 0 | beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid | antineoplastic agent;
antioxidant;
metabolite |
| irilone | [no description available] | low | 0 | 0 | hydroxyisoflavone;
organic heterotricyclic compound;
oxacycle | antineoplastic agent;
immunomodulator;
metabolite |
| wedelolactone | [no description available] | low | 0 | 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] | low | 0 | 0 | aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone | anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite |
| tranilast | [no description available] | low | 0 | 0 | amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide | anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent |
| 4'-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones;
phenols | anti-inflammatory agent;
antineoplastic agent |
| isotretinoin | [no description available] | low | 0 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
teratogenic agent |
| 9,11-linoleic acid | [no description available] | low | 0 | 0 | octadeca-9,11-dienoic acid | anti-inflammatory agent;
antiatherogenic agent;
antineoplastic agent;
apoptosis inducer;
bacterial xenobiotic metabolite;
human metabolite |
| camostat mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor |
| sirolimus | [no description available] | low | 0 | 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 |
| 3',4',7-trihydroxyisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite |
| alvocidib | [no description available] | low | 0 | 0 | dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound | antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| fenretinide | [no description available] | low | 0 | 0 | monocarboxylic acid amide;
retinoid | antineoplastic agent;
antioxidant |
| geldanamycin | [no description available] | low | 0 | 0 | 1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound | antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor |
| 4-oxoretinol | [no description available] | low | 0 | 0 | cyclic ketone;
enone;
primary allylic alcohol;
retinoid | antineoplastic agent |
| 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | [no description available] | low | 0 | 0 | benzoic acids;
naphthalenes;
retinoid | antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent |
| vinorelbine | [no description available] | low | 0 | 0 | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid | antineoplastic agent;
photosensitizing agent |
| ethyl caffeate | [no description available] | low | 0 | 0 | alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid | anti-inflammatory agent;
antineoplastic agent;
metabolite |
| andrographolide | [no description available] | low | 0 | 0 | carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol | anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite |
| 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | low | 0 | 0 | dihydroxyflavone;
monomethoxyflavone | antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| pd 166866 | [no description available] | low | 0 | 0 | biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| bosutinib | [no description available] | low | 0 | 0 | aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor |
| semaxinib | [no description available] | low | 0 | 0 | olefinic compound;
oxindoles;
pyrroles | angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist |
| su 11248 | [no description available] | low | 0 | 0 | monocarboxylic acid amide;
pyrroles | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist |
| palbociclib | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| mitoguazone | [no description available] | low | 0 | 0 | guanidines;
hydrazone | antineoplastic agent;
apoptosis inducer;
EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor |
| reumycin | [no description available] | low | 0 | 0 | carbonyl compound;
pyrimidotriazine | antimicrobial agent;
antineoplastic agent;
bacterial metabolite |
| ergosterol-5,8-peroxide | [no description available] | low | 0 | 0 | 3beta-sterol;
ergostanoid;
organic peroxide;
phytosterols | antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug |
| romidepsin | [no description available] | low | 0 | 0 | cyclodepsipeptide;
heterocyclic antibiotic;
organic disulfide | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| sulindac sulfide | [no description available] | low | 0 | 0 | aryl sulfide;
monocarboxylic acid;
organofluorine compound | antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug |
| macluraxanthone b | [no description available] | low | 0 | 0 | phenols;
xanthones | anti-HIV agent;
antineoplastic agent;
metabolite |
| flavokawain b | [no description available] | low | 0 | 0 | chalcones;
dimethoxybenzene;
phenols | anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite |
| tamsulosin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | alpha-adrenergic antagonist;
antineoplastic agent |
| batimastat | [no description available] | low | 0 | 0 | hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide | angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor |
| jaceosidin | [no description available] | low | 0 | 0 | dimethoxyflavone;
trihydroxyflavone | anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite |
| 5,7,3'-trihydroxy-3,4'-dimethoxyflavone | [no description available] | low | 0 | 0 | dimethoxyflavone;
trihydroxyflavone | antineoplastic agent;
metabolite |
| pederin | [no description available] | low | 0 | 0 | cyclic ketal;
diol;
oxanes;
polyketide;
secondary alcohol;
secondary carboxamide | antimitotic;
antineoplastic agent;
bacterial metabolite;
vesicant |
| artocarpin lectin | [no description available] | low | 0 | 0 | monomethoxyflavone;
trihydroxyflavone | antineoplastic agent;
metabolite |
| cisplatin | [no description available] | low | 0 | 0 | diamminedichloroplatinum | antineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent |
| bleomycin | [no description available] | low | 0 | 0 | bleomycin | antineoplastic agent;
metabolite |
| demethoxycurcumin | [no description available] | low | 0 | 0 | beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antineoplastic agent;
metabolite |
| cystothiazole a | [no description available] | low | 0 | 0 | 1,3-thiazoles;
biaryl;
enoate ester;
enol ether;
methyl ester;
organonitrogen heterocyclic antibiotic | antifungal agent;
antineoplastic agent;
bacterial metabolite |
| arglabin | [no description available] | low | 0 | 0 | epoxide;
gamma-lactone;
organic heterotetracyclic compound;
sesquiterpene lactone | antineoplastic agent;
metabolite |
| 3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one | [no description available] | low | 0 | 0 | enone;
pyridines | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor |
| ma-1 | [no description available] | low | 0 | 0 | carboxamidine;
organochlorine compound;
pyrimidone;
pyrrolidines | antineoplastic agent;
EC 2.4.2.4 (thymidine phosphorylase) inhibitor |
| apratoxin a | [no description available] | low | 0 | 0 | 1,3-thiazoles;
apratoxin | antineoplastic agent;
metabolite |
| ascofuranone | [no description available] | low | 0 | 0 | dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid;
tetrahydrofuranone | angiogenesis inhibitor;
antilipemic drug;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite |
| rhizoxin | [no description available] | low | 0 | 0 | 1,3-oxazoles;
epoxide;
macrolide antibiotic | antimitotic;
antineoplastic agent;
metabolite |
| sibiromycin | [no description available] | low | 0 | 0 | aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine | antineoplastic agent;
bacterial metabolite |
| bryostatin 2 | [no description available] | low | 0 | 0 | bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol | antineoplastic agent;
marine metabolite;
protein kinase C agonist |
| manumycin | [no description available] | low | 0 | 0 | enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol | antiatherosclerotic agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
marine metabolite |
| thermozymocidin | [no description available] | low | 0 | 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 |
| everolimus | [no description available] | low | 0 | 0 | cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol | anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor |
| 13(S)-HODE | [no description available] | low | 0 | 0 | HODE | antineoplastic agent;
human xenobiotic metabolite;
mouse metabolite |
| ixabepilone | [no description available] | low | 0 | 0 | 1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle | antineoplastic agent;
microtubule-destabilising agent |
| axitinib | [no description available] | low | 0 | 0 | aryl sulfide;
benzamides;
indazoles;
pyridines | antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist |
| l 744832 | [no description available] | low | 0 | 0 | benzenes;
ether;
isopropyl ester;
secondary carboxamide;
sulfone;
thiol | antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
geroprotector |
| tanespimycin | [no description available] | low | 0 | 0 | 1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor |
| manzamine a | [no description available] | low | 0 | 0 | alkaloid;
beta-carbolines;
isoquinolines | animal metabolite;
anti-HSV-1 agent;
antimalarial;
antineoplastic agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
marine metabolite |
| fostriecin | [no description available] | low | 0 | 0 | 2-pyranones;
olefinic compound;
phosphate monoester;
polyketide;
primary allylic alcohol;
secondary allylic alcohol;
triol | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
topoisomerase II inhibitor |
| artesunate | [no description available] | low | 0 | 0 | artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid | antimalarial;
antineoplastic agent;
ferroptosis inducer |
| ru 58668 | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone | anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist |
| soblidotin | [no description available] | low | 0 | 0 | tetrapeptide | antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent |
| beta-elemene | [no description available] | low | 0 | 0 | beta-elemene | antineoplastic agent |
| laulimalide | [no description available] | low | 0 | 0 | carboxylic ester;
epoxide;
macrolide;
secondary alcohol;
secondary allylic alcohol | animal metabolite;
antimitotic;
antineoplastic agent;
marine metabolite;
microtubule-stabilising agent |
| jwh-133 | [no description available] | low | 0 | 0 | benzochromene;
dibenzopyran;
organic heterotricyclic compound | analgesic;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inhibitor;
CB2 receptor agonist;
opioid analgesic;
vasodilator agent |
| belinostat | [no description available] | low | 0 | 0 | hydroxamic acid;
olefinic compound;
sulfonamide | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| on 01910 | [no description available] | low | 0 | 0 | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.21 (polo kinase) inhibitor;
microtubule-destabilising agent |
| panobinostat | [no description available] | low | 0 | 0 | cinnamamides;
hydroxamic acid;
methylindole;
secondary amino compound | angiogenesis modulating agent;
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| bml 210 | [no description available] | low | 0 | 0 | dicarboxylic acid diamide | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| bufalin | [no description available] | low | 0 | 0 | 14beta-hydroxy steroid;
3beta-hydroxy steroid | animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug |
| rhosin | [no description available] | low | 0 | 0 | D-tryptophan derivative;
hydrazone;
quinoxaline derivative | antineoplastic agent;
RhoA inhibitor;
RhoC inhibitor |
| s-allylcysteine | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion;
S-hydrocarbyl-L-cysteine | antineoplastic agent;
metabolite |
| 2-hydroxy-9-cis-octadecenoic acid | [no description available] | low | 0 | 0 | 2-hydroxy fatty acid;
hydroxy monounsaturated fatty acid;
long-chain fatty acid | antihypertensive agent;
antineoplastic agent;
apoptosis inducer |
| dolastatin 10 | [no description available] | low | 0 | 0 | 1,3-thiazoles;
tetrapeptide | animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent |
| plitidepsin | [no description available] | low | 0 | 0 | didemnin | anticoronaviral agent;
antineoplastic agent;
marine metabolite |
| abiraterone acetate | [no description available] | low | 0 | 0 | pyridines;
sterol ester | antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor;
prodrug |
| lenvatinib | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist |
| nsc 716970 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound | antineoplastic agent |
| pd 0325901 | [no description available] | low | 0 | 0 | difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound | antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
| midostaurin | [no description available] | low | 0 | 0 | benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
| jasplakinolide | [no description available] | low | 0 | 0 | cyclodepsipeptide;
phenols | actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent |
| muromonab-cd3 | [no description available] | low | 0 | 0 | alkaloid;
macrocycle;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
tertiary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
IP3 receptor antagonist;
marine metabolite |
| cabazitaxel | [no description available] | low | 0 | 0 | tetracyclic diterpenoid | antineoplastic agent;
microtubule-stabilising agent |
| elisidepsin | [no description available] | low | 0 | 0 | cyclodepsipeptide | antineoplastic agent |
| mocetinostat | [no description available] | low | 0 | 0 | aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent |
| tln 4601 | [no description available] | low | 0 | 0 | dibenzodiazepine;
farnesane sesquiterpenoid;
olefinic compound;
secondary amine;
triol | antineoplastic agent;
antioxidant;
cathepsin L (EC 3.4.22.15) inhibitor |
| scio-469 | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| tmc-95a | [no description available] | low | 0 | 0 | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor |
| cp 724714 | [no description available] | low | 0 | 0 | 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
hepatotoxic agent |
| 9-methoxycanthin-6-one | [no description available] | low | 0 | 0 | aromatic ether;
indole alkaloid;
organic heterotetracyclic compound | antineoplastic agent;
antiplasmodial drug;
metabolite |
| topopyrone c | [no description available] | low | 0 | 0 | naphthochromene;
p-quinones;
phenols | antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite |
| pi103 | [no description available] | low | 0 | 0 | aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| 5-chloro-6-(1-(2-iminopyrrolidinyl) methyl)uracil hydrochloride | [no description available] | low | 0 | 0 | hydrochloride;
iminium salt | antineoplastic agent;
EC 2.4.2.4 (thymidine phosphorylase) inhibitor |
| fty 720p | [no description available] | low | 0 | 0 | monoalkyl phosphate;
primary alcohol;
primary amino compound | antineoplastic agent;
immunosuppressive agent;
sphingosine-1-phosphate receptor agonist |
| hmr 1275 | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| zm 447439 | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor |
| hki 272 | [no description available] | low | 0 | 0 | nitrile;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
| es-285 | [no description available] | low | 0 | 0 | amino alcohol;
sphingoid | antineoplastic agent |
| nidulalin a | [no description available] | low | 0 | 0 | methyl ester;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
Penicillium metabolite |
| hypothemycin | [no description available] | low | 0 | 0 | aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone | antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite |
| rucaparib | [no description available] | low | 0 | 0 | azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound | antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| jte 607 | [no description available] | low | 0 | 0 | hydrochloride | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
CPSF3 inhibitor;
prodrug |
| pasireotide | [no description available] | low | 0 | 0 | homodetic cyclic peptide;
peptide hormone | antineoplastic agent |
| npi 2358 | [no description available] | low | 0 | 0 | 2,5-diketopiperazines;
benzenes;
imidazoles;
olefinic compound | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent |
| NNC 55-0396 (free base) | [no description available] | low | 0 | 0 | benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker |
| sr 11302 | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
retinoid;
toluenes | antineoplastic agent;
AP-1 antagonist |
| sch 51344 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound | antineoplastic agent |
| osu 03012 | [no description available] | low | 0 | 0 | antibiotic antifungal drug;
aromatic amide;
glycine derivative;
organofluorine compound;
phenanthrenes;
pyrazoles | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| ly2090314 | [no description available] | low | 0 | 0 | diazepinoindole;
imidazopyridine;
maleimides;
monofluorobenzenes;
piperidinecarboxamide;
ureas | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator |
| cerberin | [no description available] | low | 0 | 0 | acetate ester;
cardenolide glycoside;
monosaccharide derivative | antineoplastic agent;
metabolite |
| pateamine a | [no description available] | low | 0 | 0 | 1,3-thiazoles;
macrodiolide;
olefinic compound;
primary amino compound;
tertiary amino compound | antineoplastic agent;
antiviral agent;
eukaryotic initiation factor 4F inhibitor;
marine metabolite |
| 6-hydroxytaxol | [no description available] | low | 0 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent |
| masitinib | [no description available] | low | 0 | 0 | 1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines | antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor |
| avenanthramide b | [no description available] | low | 0 | 0 | amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
phytoalexin |
| ageladine a | [no description available] | low | 0 | 0 | alkaloid;
aromatic amine;
imidazopyridine;
organobromine compound;
pyrroles | angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor;
metabolite |
| ly-2157299 | [no description available] | low | 0 | 0 | aromatic amide;
methylpyridines;
monocarboxylic acid amide;
pyrrolopyrazole;
quinolines | antineoplastic agent;
TGFbeta receptor antagonist |
| pazopanib | [no description available] | low | 0 | 0 | aminopyrimidine;
indazoles;
sulfonamide | angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist |
| azd 6244 | [no description available] | low | 0 | 0 | benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| azd2858 | [no description available] | low | 0 | 0 | aromatic amine;
N-methylpiperazine;
pyrazines;
pyridines;
secondary carboxamide;
sulfonamide | antineoplastic agent;
bone density conservation agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator |
| bibw 2992 | [no description available] | low | 0 | 0 | aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor |
| bl1521 | [no description available] | low | 0 | 0 | enamide;
hydroxamic acid;
monocarboxylic acid amide | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| jte 013 | [no description available] | low | 0 | 0 | chloropyridine;
pyrazolopyridine | anti-asthmatic agent;
anti-inflammatory agent;
antineoplastic agent;
osteogenesis regulator;
pro-angiogenic agent;
sphingosine-1-phosphate receptor 2 antagonist |
| binimetinib | [no description available] | low | 0 | 0 | benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| aee 788 | [no description available] | low | 0 | 0 | 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug |
| saracatinib | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent |
| crenolanib | [no description available] | low | 0 | 0 | aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| manassantin b | [no description available] | low | 0 | 0 | benzodioxoles;
dimethoxybenzene;
lignan;
oxolanes;
secondary alcohol | antineoplastic agent;
metabolite |
| pha 665752 | [no description available] | low | 0 | 0 | dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide | antineoplastic agent;
c-Met tyrosine kinase inhibitor |
| PB28 | [no description available] | low | 0 | 0 | aromatic ether;
piperazines;
tetralins | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist |
| tmc-95b | [no description available] | low | 0 | 0 | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor |
| fr 901464 | [no description available] | low | 0 | 0 | acetate ester;
cyclic hemiketal;
monocarboxylic acid amide;
pyrans;
spiro-epoxide | antimicrobial agent;
antineoplastic agent;
bacterial metabolite |
| vinflunine | [no description available] | low | 0 | 0 | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid | antineoplastic agent |
| homocamptothecin | [no description available] | low | 0 | 0 | epsilon-lactone;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor |
| 3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol | antineoplastic agent;
metabolite |
| jaspamide b | [no description available] | low | 0 | 0 | cyclodepsipeptide;
organobromine compound | animal metabolite;
antineoplastic agent;
marine metabolite |
| ossamycin | [no description available] | low | 0 | 0 | cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol | antineoplastic agent;
bacterial metabolite |
| nigranoic acid | [no description available] | low | 0 | 0 | dicarboxylic acid;
tetracyclic triterpenoid | antineoplastic agent;
HIV-1 reverse transcriptase inhibitor;
metabolite |
| esculeoside a | [no description available] | low | 0 | 0 | azaspiro compound;
oxaspiro compound;
saponin;
steroid alkaloid;
steroid saponin | antineoplastic agent;
metabolite |
| iejimalide b | [no description available] | low | 0 | 0 | ether;
formamides;
macrolide | antineoplastic agent;
marine metabolite |
| migrastatin | [no description available] | low | 0 | 0 | ether;
macrolide antibiotic;
piperidones;
secondary alcohol | antineoplastic agent;
metabolite |
| cembra-2,7,11-triene-4,6-diol | [no description available] | low | 0 | 0 | cembrane diterpenoid | antineoplastic agent |
| 2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one | [no description available] | low | 0 | 0 | polyphenol;
xanthones | anti-inflammatory agent;
antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite |
| regorafenib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide | antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor |
| at 7867 | [no description available] | low | 0 | 0 | monochlorobenzenes;
piperidines;
pyrazoles | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| ym 155 | [no description available] | low | 0 | 0 | organic bromide salt | antineoplastic agent;
apoptosis inducer;
survivin suppressant |
| bielschowskysin | [no description available] | low | 0 | 0 | acetate ester;
cyclic acetal;
diterpenoid;
gamma-lactone;
organic heterohexacyclic compound | antimalarial;
antineoplastic agent;
metabolite |
| erastin | [no description available] | low | 0 | 0 | aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide | antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor |
| abt-737 | [no description available] | low | 0 | 0 | aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound | anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
| brivanib | [no description available] | low | 0 | 0 | aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist |
| rx-3117 | [no description available] | low | 0 | 0 | organofluorine compound;
primary allylic alcohol;
triol | antimetabolite;
antineoplastic agent;
apoptosis inducer;
DNA synthesis inhibitor;
prodrug |
| ascochlorin | [no description available] | low | 0 | 0 | cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid | angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite |
| spiculoic acid a | [no description available] | low | 0 | 0 | carbobicyclic compound;
cyclic ketone;
oxo monocarboxylic acid;
styrenes | antineoplastic agent;
metabolite |
| N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide | [no description available] | low | 0 | 0 | D-valine derivative;
hydroxamic acid | antineoplastic agent;
autophagy inducer;
EC 3.4.24.24 (gelatinase A) inhibitor;
melanin synthesis inhibitor |
| at 7519 | [no description available] | low | 0 | 0 | dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| ym 216391 | [no description available] | low | 0 | 0 | 1,3-oxazoles;
1,3-thiazoles;
azamacrocycle;
benzenes;
heterodetic cyclic peptide | antineoplastic agent;
bacterial metabolite |
| marizomib | [no description available] | low | 0 | 0 | beta-lactone;
gamma-lactam;
organic heterobicyclic compound;
organochlorine compound;
salinosporamide | antineoplastic agent;
proteasome inhibitor |
| er-086526 | [no description available] | low | 0 | 0 | cyclic ketal;
cyclic ketone;
macrocycle;
polycyclic ether;
polyether;
primary amino compound | antineoplastic agent;
microtubule-destabilising agent |
| episilvestrol | [no description available] | low | 0 | 0 | dioxanes;
ether;
methyl ester;
organic heterotricyclic compound | antineoplastic agent;
metabolite |
| abt 869 | [no description available] | low | 0 | 0 | aromatic amine;
indazoles;
phenylureas | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| azd 1152 | [no description available] | low | 0 | 0 | anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor;
prodrug |
| pf 00299804 | [no description available] | low | 0 | 0 | enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
| ki11502 | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
quinolines;
thioureas | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| carfilzomib | [no description available] | low | 0 | 0 | epoxide;
morpholines;
tetrapeptide | antineoplastic agent;
proteasome inhibitor |
| 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate | antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| idelalisib | [no description available] | low | 0 | 0 | aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| crizotinib | [no description available] | low | 0 | 0 | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| zstk474 | [no description available] | low | 0 | 0 | benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| trametinib | [no description available] | low | 0 | 0 | acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector |
| lyoniresinol | [no description available] | low | 0 | 0 | dimethoxybenzene;
lignan;
polyphenol;
primary alcohol;
tetralins | antineoplastic agent;
metabolite |
| GDC-0879 | [no description available] | low | 0 | 0 | indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines | antineoplastic agent;
B-Raf inhibitor |
| physalin b | [no description available] | low | 0 | 0 | enone;
lactone;
organic heteroheptacyclic compound;
physalin | antimalarial;
antimicrobial agent;
antineoplastic agent |
| amrubicinol | [no description available] | low | 0 | 0 | diastereoisomeric mixture;
quinone;
secondary alcohol;
tetracenes | antineoplastic agent;
apoptosis inducer;
topoisomerase II inhibitor |
| silvestrol | [no description available] | low | 0 | 0 | dioxanes;
ether;
methyl ester;
organic heterotricyclic compound | antineoplastic agent;
metabolite |
| at 13387 | [no description available] | low | 0 | 0 | benzamides;
isoindoles;
N-alkylpiperazine;
resorcinols;
tertiary carboxamide | antineoplastic agent;
Hsp90 inhibitor |
| dactolisib | [no description available] | low | 0 | 0 | imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| bgt226 | [no description available] | low | 0 | 0 | aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| 2'-methoxykurarinone | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones;
dihydroxyflavanone;
dimethoxyflavanone | antineoplastic agent;
metabolite |
| monascin | [no description available] | low | 0 | 0 | alpha,beta-unsaturated ketone;
gamma-lactone;
organic heterotricyclic compound;
polyketide | antilipemic drug;
antineoplastic agent;
fungal metabolite;
PPARgamma agonist |
| monascorubrin | [no description available] | low | 0 | 0 | azaphilone;
enone;
gamma-lactone;
polyketide;
triketone | anti-inflammatory agent;
antineoplastic agent;
biological pigment;
food colouring;
fungal metabolite;
Hsp90 inhibitor |
| SYC-435 | [no description available] | low | 0 | 0 | benzenes;
cyclic hydroxamic acid;
pyridone | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
| mogrol | [no description available] | low | 0 | 0 | hydroxy seco-steroid;
tetracyclic triterpenoid | antineoplastic agent |
| simalikalactone D | [no description available] | low | 0 | 0 | cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
triol | antimalarial;
antineoplastic agent;
antiviral agent;
metabolite |
| 4-methyl-5-pentylbenzene-1,3-diol | [no description available] | low | 0 | 0 | resorcinols | antineoplastic agent |
| mdv 3100 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound | androgen antagonist;
antineoplastic agent |
| azd 1152-hqpa | [no description available] | low | 0 | 0 | anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor |
| schweinfurthin g | [no description available] | low | 0 | 0 | cyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid | antineoplastic agent;
metabolite |
| abarelix | [no description available] | low | 0 | 0 | polypeptide | antineoplastic agent;
hormone antagonist |
| forapin | [no description available] | low | 0 | 0 | peptidyl amide;
polypeptide | animal metabolite;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.13 (protein kinase C) inhibitor;
hepatoprotective agent;
neuroprotective agent;
venom |
| gastrin 17 | [no description available] | low | 0 | 0 | gastrin | antineoplastic agent |
| gdc-0973 | [no description available] | low | 0 | 0 | aromatic amine;
difluorobenzene;
N-acylazetidine;
organoiodine compound;
piperidines;
secondary amino compound;
tertiary alcohol | antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| buparlisib | [no description available] | low | 0 | 0 | aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| tubocapsanolide a | [no description available] | low | 0 | 0 | 4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
withanolide | antineoplastic agent;
NF-kappaB inhibitor |
| ro5126766 | [no description available] | low | 0 | 0 | aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides | antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| pevonedistat | [no description available] | low | 0 | 0 | cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate | antineoplastic agent;
apoptosis inducer |
| tg101209 | [no description available] | low | 0 | 0 | N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| gsk690693 | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| cnf 2024 | [no description available] | low | 0 | 0 | 2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines | antineoplastic agent;
Hsp90 inhibitor |
| ku 0063794 | [no description available] | low | 0 | 0 | benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound | antineoplastic agent;
mTOR inhibitor |
| respirantin | [no description available] | low | 0 | 0 | benzamides;
cyclodepsipeptide;
formamides;
phenols | antimicrobial agent;
antineoplastic agent;
metabolite |
| sm 164 | [no description available] | low | 0 | 0 | benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles | antineoplastic agent;
apoptosis inducer;
radiosensitizing agent |
| berkeleydione | [no description available] | low | 0 | 0 | beta-diketone;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol;
tertiary alpha-hydroxy ketone | antineoplastic agent;
cysteine protease inhibitor;
Penicillium metabolite |
| lucidenic acid n | [no description available] | low | 0 | 0 | cyclic terpene ketone;
dioxo monocarboxylic acid;
secondary alcohol;
tetracyclic triterpenoid | antineoplastic agent;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite |
| nnc 55-0396 | [no description available] | low | 0 | 0 | hydrochloride | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker |
| meclofenamate sodium anhydrous | [no description available] | low | 0 | 0 | hydrate | analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| brequinar sodium | [no description available] | low | 0 | 0 | organic sodium salt | anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor |
| borrelidin | [no description available] | low | 0 | 0 | aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol | antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite |
| olaparib | [no description available] | low | 0 | 0 | cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines | antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| plx 4720 | [no description available] | low | 0 | 0 | aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide | antineoplastic agent;
B-Raf inhibitor |
| lcl161 | [no description available] | low | 0 | 0 | 1,3-thiazoles;
aromatic ketone;
L-alanine derivative;
monofluorobenzenes;
N-acylpyrrolidine | antineoplastic agent;
apoptosis inducer |
| aspergillide b | [no description available] | low | 0 | 0 | bridged compound;
cyclic ether;
macrolide;
secondary alcohol | antineoplastic agent;
Aspergillus metabolite |
| tenovin-6 | [no description available] | low | 0 | 0 | monocarboxylic acid amide;
tertiary amino compound;
thioureas | antineoplastic agent;
p53 activator;
Sir2 inhibitor |
| lde225 | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist |
| gdc 0449 | [no description available] | low | 0 | 0 | benzamides;
monochlorobenzenes;
pyridines;
sulfone | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent |
| bms 754807 | [no description available] | low | 0 | 0 | pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| delanzomib | [no description available] | low | 0 | 0 | C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative | antineoplastic agent;
apoptosis inducer;
proteasome inhibitor |
| grassypeptolide | [no description available] | low | 0 | 0 | cyclodepsipeptide;
macrocycle | antineoplastic agent;
metabolite |
| pci 32765 | [no description available] | low | 0 | 0 | acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide | antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| ponatinib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine | antineoplastic agent;
tyrosine kinase inhibitor |
| spiruchostatin b | [no description available] | low | 0 | 0 | macrocyclic lactone;
organic disulfide;
organic heterobicyclic compound;
spiruchostatin | antineoplastic agent;
bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| AMG-208 | [no description available] | low | 0 | 0 | aromatic ether;
quinolines;
triazolopyridazine | antineoplastic agent;
c-Met tyrosine kinase inhibitor |
| sch772984 | [no description available] | low | 0 | 0 | biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide | analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| papuamide b | [no description available] | low | 0 | 0 | cyclodepsipeptide;
olefinic compound;
secondary alcohol;
tertiary alcohol | anti-HIV-1 agent;
antineoplastic agent;
marine metabolite |
| antroquinonol d | [no description available] | low | 0 | 0 | enol ether;
enone;
secondary alcohol | antineoplastic agent;
fungal metabolite |
| quizartinib | [no description available] | low | 0 | 0 | benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor |
| 6-methoxyspirotryprostatin b | [no description available] | low | 0 | 0 | aromatic ether;
azaspiro compound;
indole alkaloid;
indolones | antineoplastic agent;
Aspergillus metabolite |
| PP121 | [no description available] | low | 0 | 0 | aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor |
| niraparib | [no description available] | low | 0 | 0 | benzenes;
indazoles;
piperidines;
primary carboxamide | antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| niraparib | [no description available] | low | 0 | 0 | 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent |
| navitoclax | [no description available] | low | 0 | 0 | aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
| lucitanib | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines | antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist |
| chondramide c | [no description available] | low | 0 | 0 | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite |
| n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | [no description available] | low | 0 | 0 | aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound | anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| cetrorelix | [no description available] | low | 0 | 0 | oligopeptide | antineoplastic agent;
GnRH antagonist |
| histrelin | [no description available] | low | 0 | 0 | oligopeptide | antineoplastic agent;
gonadotropin releasing hormone agonist |
| cabozantinib | [no description available] | low | 0 | 0 | aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
| salvileucalin b | [no description available] | low | 0 | 0 | bridged compound;
diterpenoid;
furans;
gamma-lactone | antineoplastic agent;
metabolite |
| incb-018424 | [no description available] | low | 0 | 0 | nitrile;
pyrazoles;
pyrrolopyrimidine | antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| poziotinib | [no description available] | low | 0 | 0 | acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline | antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist |
| asp3026 | [no description available] | low | 0 | 0 | aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone | antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor |
| pexidartinib | [no description available] | low | 0 | 0 | aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| TAK-580 | [no description available] | low | 0 | 0 | 1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor |
| glasdegib | [no description available] | low | 0 | 0 | benzimidazoles;
nitrile;
phenylureas;
piperidines | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist |
| gsk 2126458 | [no description available] | low | 0 | 0 | aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide | anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent |
| ixazomib | [no description available] | low | 0 | 0 | benzamides;
boronic acids;
dichlorobenzene;
glycine derivative | antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor |
| cx 5461 | [no description available] | low | 0 | 0 | diazepine;
naphthyridine derivative;
organic heterotetracyclic compound;
pyrazines;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.7.6 (RNA polymerase) inhibitor |
| (5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | [no description available] | low | 0 | 0 | benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
mTOR inhibitor |
| plx4032 | [no description available] | low | 0 | 0 | aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide | antineoplastic agent;
B-Raf inhibitor |
| GDC-0623 | [no description available] | low | 0 | 0 | hydroxamic acid ester;
imidazopyridine;
monofluorobenzenes;
organoiodine compound;
primary alcohol;
secondary amino compound;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
| INDY | [no description available] | low | 0 | 0 | benzothiazoles;
enone;
organic hydroxy compound | antineoplastic agent;
drug metabolite;
EC 2.7.12.1 (dual-specificity kinase) inhibitor |
| 7,8-dihydroxyflavanone | [no description available] | low | 0 | 0 | dihydroxyflavanone | antineoplastic agent;
metabolite |
| dabrafenib | [no description available] | low | 0 | 0 | 1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide | anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor |
| cblc137 | [no description available] | low | 0 | 0 | aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator |
| leachianone a | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone | antimalarial;
antineoplastic agent;
metabolite |
| thiopental sodium | [no description available] | low | 0 | 0 | organochlorine compound;
piperazines;
pyrimidines | antineoplastic agent;
tyrosine kinase inhibitor |
| EG00229 | [no description available] | low | 0 | 0 | benzothiadiazole;
dicarboxylic acid monoamide;
L-arginine derivative;
secondary carboxamide;
sulfonamide;
thiophenes | angiogenesis inhibitor;
antineoplastic agent;
neuropilin receptor antagonist |
| tak-632 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor |
| chondramide a | [no description available] | low | 0 | 0 | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite |
| englerin a | [no description available] | low | 0 | 0 | cinnamate ester;
glycolate ester;
guaiane sesquiterpenoid | antineoplastic agent;
metabolite |
| lrrk2-in1 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| jq1 compound | [no description available] | low | 0 | 0 | carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer |
| ML-210 | [no description available] | low | 0 | 0 | C-nitro compound;
diarylmethane;
isoxazoles;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
tertiary carboxamide | antineoplastic agent;
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer;
prodrug |
| eurycomanone | [no description available] | low | 0 | 0 | cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
pentol;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
tertiary alcohol | antimalarial;
antineoplastic agent;
metabolite |
| gilteritinib | [no description available] | low | 0 | 0 | aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| alectinib | [no description available] | low | 0 | 0 | aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| ML240 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound | antineoplastic agent |
| torin 1 | [no description available] | low | 0 | 0 | N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines | antineoplastic agent;
mTOR inhibitor |
| abt-199 | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
| pracinostat | [no description available] | low | 0 | 0 | benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound | antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| physalin f | [no description available] | low | 0 | 0 | enone;
epoxy steroid;
lactone;
physalin | antileishmanial agent;
antimalarial;
antineoplastic agent;
apoptosis inducer;
immunosuppressive agent |
| xl765 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| DMH1 | [no description available] | low | 0 | 0 | aromatic ether;
pyrazolopyrimidine;
quinolines | antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor |
| torin 2 | [no description available] | low | 0 | 0 | aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline | antineoplastic agent;
mTOR inhibitor |
| oligomycin a | [no description available] | low | 0 | 0 | antibiotic antifungal agent;
diketone;
oligomycin;
pentol | antineoplastic agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
nematicide |
| 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea | [no description available] | low | 0 | 0 | aminopyrimidine;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas | antineoplastic agent;
fibroblast growth factor receptor antagonist |
| 3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid | antineoplastic agent;
metabolite |
| 3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid | antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist |
| chir 98014 | [no description available] | low | 0 | 0 | aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator |
| gsk2656157 | [no description available] | low | 0 | 0 | biaryl;
indoles;
methylpyridines;
organofluorine compound;
pyrrolopyrimidine;
tertiary carboxamide | antineoplastic agent;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
PERK inhibitor |
| coumermycin | [no description available] | low | 0 | 0 | aromatic amide;
coumarins;
glycoside;
heteroarenecarboxylate ester;
pyrroles | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
DNA synthesis inhibitor;
Hsp90 inhibitor;
topoisomerase IV inhibitor |
| lfm a13 | [no description available] | low | 0 | 0 | aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor |
| AZD3463 | [no description available] | low | 0 | 0 | aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| calicheamicin gamma(1)i | [no description available] | low | 0 | 0 | calicheamicin;
enediyne antibiotic;
organoiodine compound | antineoplastic agent;
metabolite |
| asperfuranone | [no description available] | low | 0 | 0 | 2-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone | antineoplastic agent;
fungal metabolite |
| ceritinib | [no description available] | low | 0 | 0 | aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| pelabresib | [no description available] | low | 0 | 0 | monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide | antineoplastic agent;
bromodomain-containing protein 4 inhibitor |
| MK-8353 | [no description available] | low | 0 | 0 | aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| gsk2879552 | [no description available] | low | 0 | 0 | benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor |
| ssr128129e | [no description available] | low | 0 | 0 | organic sodium salt | antineoplastic agent;
fibroblast growth factor receptor antagonist |
| aspergillide a | [no description available] | low | 0 | 0 | bridged compound;
cyclic ether;
macrolide;
secondary alcohol | antineoplastic agent;
Aspergillus metabolite |
| brasilicardin a | [no description available] | low | 0 | 0 | benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent |
| acp-196 | [no description available] | low | 0 | 0 | aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| gsk343 | [no description available] | low | 0 | 0 | aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
| myriaporone 3 | [no description available] | low | 0 | 0 | beta-hydroxy ketone;
epoxide;
lactol;
oxanes;
primary alcohol;
secondary alcohol | antineoplastic agent;
metabolite |
| GSK1059615 | [no description available] | low | 0 | 0 | pyridines;
quinolines;
thiazolidinone | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| osimertinib | [no description available] | low | 0 | 0 | acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
| ivosidenib | [no description available] | low | 0 | 0 | cyanopyridine;
monochlorobenzenes;
organofluorine compound;
pyrrolidin-2-ones;
secondary carboxamide;
tertiary carboxamide | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
| ly3009120 | [no description available] | low | 0 | 0 | aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor |
| pf-06463922 | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| as 1842856 | [no description available] | low | 0 | 0 | organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound | anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent |
| physalin d | [no description available] | low | 0 | 0 | 5alpha-hydroxy steroid;
6beta-hydroxy steroid;
cyclic ether;
enone;
lactone;
organic heteroheptacyclic compound;
physalin | antimalarial;
antimycobacterial drug;
antineoplastic agent |
| acarbose | [no description available] | low | 0 | 0 | chondramide;
indoles;
organochlorine compound;
phenols | antineoplastic agent;
bacterial metabolite |
| sr9243 | [no description available] | low | 0 | 0 | bromobenzenes;
sulfonamide;
sulfone | antineoplastic agent;
apoptosis inducer;
liver X receptor inverse agonist |
| CCT251545 | [no description available] | low | 0 | 0 | azaspiro compound;
chloropyridine;
pyrazoles | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
Wnt signalling inhibitor |
| ldc4297 | [no description available] | low | 0 | 0 | aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound | antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| hg-9-91-01 | [no description available] | low | 0 | 0 | aminopyrimidine;
dimethoxybenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas;
secondary amino compound | antineoplastic agent;
salt-inducible kinase 2 inhibitor |
| cigb-300 | [no description available] | low | 0 | 0 | heterodetic cyclic peptide;
polypeptide | angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| chondramide d | [no description available] | low | 0 | 0 | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite |
| bassianolide | [no description available] | low | 0 | 0 | cyclodepsipeptide;
cyclooctadepsipeptide | antineoplastic agent;
fungal metabolite;
insecticide |
| enasidenib | [no description available] | low | 0 | 0 | 1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
| BDA-366 | [no description available] | low | 0 | 0 | anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer |
| THZ531 | [no description available] | low | 0 | 0 | aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| can 508 | [no description available] | low | 0 | 0 | aromatic amine;
monoazo compound;
phenols;
pyrazoles | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| levoleucovorin | [no description available] | low | 0 | 0 | 5-formyltetrahydrofolic acid | antineoplastic agent;
metabolite |
| rifampin | [no description available] | low | 0 | 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 |
| azaguanine | [no description available] | low | 0 | 0 | nucleobase analogue;
triazolopyrimidines | antimetabolite;
antineoplastic agent;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
| pemetrexed | [no description available] | low | 0 | 0 | N-acyl-L-glutamic acid;
pyrrolopyrimidine | antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
| pyrazofurin | [no description available] | low | 0 | 0 | C-glycosyl compound;
pyrazoles | antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor |
| MMP-9-IN-1 | [no description available] | low | 0 | 0 | aromatic compound;
organic sulfide;
organofluorine compound;
pyrimidone;
secondary carboxamide | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor |
| hydrazinocurcumin | [no description available] | low | 0 | 0 | aromatic ether;
olefinic compound;
polyphenol;
pyrazoles | angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| 9-arabinofuranosylguanine | [no description available] | low | 0 | 0 | beta-D-arabinoside;
purine nucleoside | antineoplastic agent;
DNA synthesis inhibitor |
| cerulomycin | [no description available] | low | 0 | 0 | aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid | antineoplastic agent;
bacterial metabolite;
marine metabolite |
| ver 52296 | [no description available] | low | 0 | 0 | aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols | angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor |
| 2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile | [no description available] | low | 0 | 0 | hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor |
| XL413 | [no description available] | low | 0 | 0 | benzofuropyrimidine;
organochlorine compound;
pyrrolidines | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| pp242 | [no description available] | low | 0 | 0 | aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine | antineoplastic agent;
mTOR inhibitor |
| marineosin a | [no description available] | low | 0 | 0 | azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles | antineoplastic agent;
metabolite |
| marineosin b | [no description available] | low | 0 | 0 | azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles | antineoplastic agent;
metabolite |
| ARS-1620 | [no description available] | low | 0 | 0 | quinazolines | antineoplastic agent;
antiviral agent;
inhibitor |
| sotorasib | [no description available] | low | 0 | 0 | acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide | antineoplastic agent |
| calmidazolium | [no description available] | low | 0 | 0 | imidazolium ion | apoptosis inducer;
calmodulin antagonist |
| methyl methanesulfonate | [no description available] | low | 0 | 0 | methanesulfonate ester | alkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen |
| niclosamide | [no description available] | low | 0 | 0 | benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide | anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor |
| sb 202190 | [no description available] | low | 0 | 0 | imidazoles;
organofluorine compound;
phenols;
pyridines | apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine | [no description available] | low | 0 | 0 | N-substituted diamine;
pyridines;
tertiary amino compound | apoptosis inducer;
chelator;
copper chelator |
| diethyl sulfate | [no description available] | low | 0 | 0 | alkyl sulfate | alkylating agent;
apoptosis inducer;
carcinogenic agent;
mutagen |
| n-nitrosopiperidine | [no description available] | low | 0 | 0 | nitrosamine;
piperidine | apoptosis inducer;
carcinogenic agent;
environmental contaminant;
mutagen |
| ziram | [no description available] | low | 0 | 0 | dithiocarbamate salt;
zinc molecular entity | antifungal agrochemical;
apoptosis inducer |
| thallium acetate | [no description available] | low | 0 | 0 | acetate salt;
thallium molecular entity | apoptosis inducer;
neurotoxin |
| methyl isocyanate | [no description available] | low | 0 | 0 | isocyanates | allergen;
apoptosis inducer |
| dibromoacetic acid | [no description available] | low | 0 | 0 | 2-bromocarboxylic acid;
monocarboxylic acid | apoptosis inducer;
geroprotector;
marine metabolite |
| antimony trichloride | [no description available] | low | 0 | 0 | antimony molecular entity;
inorganic chloride | apoptosis inducer;
colorimetric reagent;
Lewis acid |
| norsalsolinol | [no description available] | low | 0 | 0 | isoquinolinol | animal metabolite;
apoptosis inducer;
human metabolite;
marine metabolite |
| 1-methyl-4-phenylpyridinium | [no description available] | low | 0 | 0 | pyridinium ion | apoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin |
| staurosporine | [no description available] | low | 0 | 0 | indolocarbazole alkaloid;
organic heterooctacyclic compound | apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector |
| mevastatin | [no description available] | low | 0 | 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 |
| tetraiodothyroacetic acid | [no description available] | low | 0 | 0 | 2-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid | apoptosis inducer;
human metabolite;
thyroid hormone |
| fluazinam | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound | allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic |
| tabtoxinine beta-lactam | [no description available] | low | 0 | 0 | beta-lactam antibiotic;
monobactam;
non-proteinogenic L-alpha-amino acid;
tertiary alpha-hydroxy ketone | apoptosis inducer;
bacterial metabolite;
EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor |
| 27-hydroxycholesterol | [no description available] | low | 0 | 0 | 26-hydroxycholesterol | apoptosis inducer;
human metabolite;
mouse metabolite;
neuroprotective agent |
| cd 437 | [no description available] | low | 0 | 0 | adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols | apoptosis inducer;
retinoic acid receptor gamma agonist |
| nsc 23766 | [no description available] | low | 0 | 0 | aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound | antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist |
| calmidazolium | [no description available] | low | 0 | 0 | organic chloride salt | apoptosis inducer;
calmodulin antagonist |
| vx-745 | [no description available] | low | 0 | 0 | aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine | anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| sb 415286 | [no description available] | low | 0 | 0 | C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline | antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent |
| 2,4-decadienal | [no description available] | low | 0 | 0 | polyunsaturated fatty aldehyde | apoptosis inducer;
nematicide |
| natamycin | [no description available] | low | 0 | 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 |
| t-2 toxin | [no description available] | low | 0 | 0 | acetate ester;
organic heterotetracyclic compound;
trichothecene | apoptosis inducer;
cardiotoxic agent;
DNA synthesis inhibitor;
environmental contaminant;
fungal metabolite;
mycotoxin;
neurotoxin |
| herbimycin | [no description available] | low | 0 | 0 | 1,4-benzoquinones;
lactam;
macrocycle | antimicrobial agent;
apoptosis inducer;
herbicide;
Hsp90 inhibitor;
tyrosine kinase inhibitor |
| ro 41-5253 | [no description available] | low | 0 | 0 | aromatic ether;
benzoic acids;
sulfone;
thiochromane | apoptosis inducer;
retinoic acid receptor alpha antagonist |
| ag-490 | [no description available] | low | 0 | 0 | catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide | anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor |
| bay 11-7082 | [no description available] | low | 0 | 0 | nitrile;
sulfone | apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor |
| sulindac sulfone | [no description available] | low | 0 | 0 | monocarboxylic acid;
organofluorine compound;
sulfone | apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
| bafilomycin a1 | [no description available] | low | 0 | 0 | cyclic hemiketal;
macrolide antibiotic;
oxanes | apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin |
| HT-2 toxin | [no description available] | low | 0 | 0 | acetate ester;
organic heterotetracyclic compound;
trichothecene | apoptosis inducer;
fungal metabolite |
| delphinidin 3-sambubioside | [no description available] | low | 0 | 0 | anthocyanidin 3-O-beta-D-sambubioside | apoptosis inducer;
metabolite |
| np 031112 | [no description available] | low | 0 | 0 | benzenes;
naphthalenes;
thiadiazolidine | anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent |
| MI-63 | [no description available] | low | 0 | 0 | azaspiro compound;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
oxindoles;
pyrrolidines;
secondary carboxamide | apoptosis inducer |
| nsc 23766 | [no description available] | low | 0 | 0 | hydrochloride | antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist |
| scalaradial | [no description available] | low | 0 | 0 | acetate ester;
carbotetracyclic compound;
dialdehyde;
enal;
scalarane sesterterpenoid | animal metabolite;
anti-inflammatory agent;
apoptosis inducer;
EC 3.1.1.4 (phospholipase A2) inhibitor;
marine metabolite;
TRP channel blocker |
| 1-palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphorylcholine | [no description available] | low | 0 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine;
aldehyde | apoptosis inducer |
| duramycin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide;
macrocycle | antimicrobial agent;
apoptosis inducer;
bacterial metabolite |
| tilimycin | [no description available] | low | 0 | 0 | phenols;
pyrrolobenzodiazepine | alkylating agent;
apoptosis inducer;
bacterial metabolite;
toxin |
| creatine | [no description available] | low | 0 | 0 | glycine derivative;
guanidines;
zwitterion | geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical |
| glycerol | [no description available] | low | 0 | 0 | alditol;
triol | algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent |
| thioctic acid | [no description available] | low | 0 | 0 | dithiolanes;
heterocyclic fatty acid;
thia fatty acid | fundamental metabolite;
geroprotector |
| melatonin | [no description available] | low | 0 | 0 | acetamides;
tryptamines | anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger |
| 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 |
| oxaloacetic acid | [no description available] | low | 0 | 0 | C4-dicarboxylic acid;
oxo dicarboxylic acid | geroprotector;
metabolite |
| spermidine | [no description available] | low | 0 | 0 | polyazaalkane;
triamine | autophagy inducer;
fundamental metabolite;
geroprotector |
| n-(3-(aminomethyl)benzyl)acetamidine | [no description available] | low | 0 | 0 | aralkylamine;
carboxamidine;
primary amino compound | angiogenesis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector |
| 2,4-dinitrophenol | [no description available] | low | 0 | 0 | dinitrophenol | allergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor |
| mercaptoethanol | [no description available] | low | 0 | 0 | alkanethiol;
primary alcohol | geroprotector |
| 3,4-dichloroisocoumarin | [no description available] | low | 0 | 0 | isocoumarins;
organochlorine compound | geroprotector;
serine protease inhibitor |
| cgp 52411 | [no description available] | low | 0 | 0 | phthalimides | geroprotector;
tyrosine kinase inhibitor |
| 4-phenyl-3-furoxancarbonitrile | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile | geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent |
| acetaminophen | [no description available] | low | 0 | 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 |
| ag 1295 | [no description available] | low | 0 | 0 | quinoxaline derivative | geroprotector |
| tyrphostin a1 | [no description available] | low | 0 | 0 | methoxybenzenes | geroprotector |
| amoxapine | [no description available] | low | 0 | 0 | dibenzooxazepine | adrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor |
| aspirin | [no description available] | low | 0 | 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 |
| celecoxib | [no description available] | low | 0 | 0 | organofluorine compound;
pyrazoles;
sulfonamide;
toluenes | cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| clofibrate | [no description available] | low | 0 | 0 | aromatic ether;
ethyl ester;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist |
| ethosuximide | [no description available] | low | 0 | 0 | dicarboximide;
pyrrolidinone | anticonvulsant;
geroprotector;
T-type calcium channel blocker |
| ethoxyquin | [no description available] | low | 0 | 0 | aromatic ether;
quinolines | antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator |
| carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | low | 0 | 0 | aromatic ether;
hydrazone;
nitrile;
organofluorine compound | ATP synthase inhibitor;
geroprotector;
ionophore |
| fenofibrate | [no description available] | low | 0 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| foscarnet | [no description available] | low | 0 | 0 | carboxylic acid;
one-carbon compound;
phosphonic acids | antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor |
| fasudil | [no description available] | low | 0 | 0 | isoquinolines;
N-sulfonyldiazepane | antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent |
| ibuprofen | [no description available] | low | 0 | 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 |
| nsc 664704 | [no description available] | low | 0 | 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 |
| kinetin | [no description available] | low | 0 | 0 | 6-aminopurines;
furans | cytokinin;
geroprotector |
| lamotrigine | [no description available] | low | 0 | 0 | 1,2,4-triazines;
dichlorobenzene;
primary arylamine | anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic |
| loratadine | [no description available] | low | 0 | 0 | benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide | anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist |
| 2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | low | 0 | 0 | chromones;
morpholines;
organochlorine compound | autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector |
| metformin | [no description available] | low | 0 | 0 | guanidines | environmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic |
| methiothepin | [no description available] | low | 0 | 0 | aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound | antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist |
| metoprolol | [no description available] | low | 0 | 0 | aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound | antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic |
| mianserin | [no description available] | low | 0 | 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 |
| nitrendipine | [no description available] | low | 0 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester | antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent |
| oxatomide | [no description available] | low | 0 | 0 | benzimidazoles;
diarylmethane;
N-alkylpiperazine | anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist |
| pd 98059 | [no description available] | low | 0 | 0 | aromatic amine;
monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector |
| pioglitazone | [no description available] | low | 0 | 0 | aromatic ether;
pyridines;
thiazolidinediones | antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic |
| ag 1879 | [no description available] | low | 0 | 0 | aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine | beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
| resveratrol | [no description available] | low | 0 | 0 | polyphenol;
resorcinols;
stilbenol | antioxidant;
geroprotector;
glioma-associated oncogene inhibitor;
phytoalexin |
| 4-phenylbutyric acid, sodium salt | [no description available] | low | 0 | 0 | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug |
| trimethadione | [no description available] | low | 0 | 0 | oxazolidinone | anticonvulsant;
geroprotector |
| tyrphostin a9 | [no description available] | low | 0 | 0 | alkylbenzene | geroprotector |
| nad | [no description available] | low | 0 | 0 | NAD | geroprotector |
| chloramphenicol | [no description available] | low | 0 | 0 | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor |
| promethazine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative |
| edetic acid | [no description available] | low | 0 | 0 | ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid | anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector |
| cysteamine | [no description available] | low | 0 | 0 | amine;
thiol | geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent |
| dimethylnitrosamine | [no description available] | low | 0 | 0 | nitrosamine | geroprotector;
mutagen |
| dimethylformamide | [no description available] | low | 0 | 0 | formamides;
volatile organic compound | geroprotector;
hepatotoxic agent;
polar aprotic solvent |
| pantothenic acid | [no description available] | low | 0 | 0 | pantothenic acid;
vitamin B5 | antidote to curare poisoning;
geroprotector;
human blood serum metabolite |
| trehalose | [no description available] | low | 0 | 0 | trehalose | Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| cyproterone acetate | [no description available] | low | 0 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester | androgen antagonist;
geroprotector;
progestin |
| lithocholic acid | [no description available] | low | 0 | 0 | bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid | geroprotector;
human metabolite;
mouse metabolite |
| acetylcysteine | [no description available] | low | 0 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
| 2-(2'-hydroxyphenyl)benzoxazole | [no description available] | low | 0 | 0 | 1,3-benzoxazoles;
phenols | geroprotector |
| ethidium bromide | [no description available] | low | 0 | 0 | organic bromide salt | geroprotector;
intercalator;
trypanocidal drug |
| thioflavin t | [no description available] | low | 0 | 0 | organic chloride salt | fluorochrome;
geroprotector;
histological dye |
| 2-(2-hydroxyphenyl)benzothiazole | [no description available] | low | 0 | 0 | benzothiazoles;
phenols | geroprotector |
| selegiline | [no description available] | low | 0 | 0 | selegiline;
terminal acetylenic compound | geroprotector |
| danazol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
terminal acetylenic compound | anti-estrogen;
estrogen antagonist;
geroprotector |
| metergoline | [no description available] | low | 0 | 0 | carbamate ester;
ergoline alkaloid | dopamine agonist;
geroprotector;
serotonergic antagonist |
| butylated hydroxytoluene | [no description available] | low | 0 | 0 | phenols | antioxidant;
ferroptosis inhibitor;
food additive;
geroprotector |
| bezafibrate | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| nicardipine hydrochloride | [no description available] | low | 0 | 0 | dihydropyridine | geroprotector |
| acarbose | [no description available] | low | 0 | 0 | tetrasaccharide derivative | EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent |
| pergolide mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | antiparkinson drug;
dopamine agonist;
geroprotector |
| simvastatin | [no description available] | low | 0 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug |
| doxazosin mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | geroprotector |
| thioridazine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | first generation antipsychotic;
geroprotector |
| mianserin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | geroprotector |
| alfatradiol | [no description available] | low | 0 | 0 | 17alpha-hydroxy steroid;
3-hydroxy steroid;
estradiol | estrogen;
geroprotector |
| dipropylacetamide | [no description available] | low | 0 | 0 | fatty amide | geroprotector;
metabolite;
teratogenic agent |
| loxapine succinate | [no description available] | low | 0 | 0 | succinate salt | geroprotector |
| guanfacine hydrochloride | [no description available] | low | 0 | 0 | acetamides | geroprotector |
| amperozide | [no description available] | low | 0 | 0 | diarylmethane;
monofluorobenzenes;
N-alkylpiperazine;
secondary carboxamide;
ureas | anxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist |
| amperozide hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist |
| 2-(1H-benzimidazol-2-yl)aniline | [no description available] | low | 0 | 0 | benzimidazoles;
primary arylamine;
substituted aniline | geroprotector |
| methionine sulfoximine | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion;
L-methionine derivative;
methionine sulfoximine;
non-proteinogenic L-alpha-amino acid | EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor;
geroprotector |
| thiazolidine-4-carboxylic acid, (r)-isomer | [no description available] | low | 0 | 0 | thiazolidinemonocarboxylic acid;
thioproline | geroprotector;
metabolite |
| paxilline | [no description available] | low | 0 | 0 | diterpene alkaloid;
enone;
organic heterohexacyclic compound;
terpenoid indole alkaloid;
tertiary alcohol | anticonvulsant;
Aspergillus metabolite;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
genotoxin;
geroprotector;
mycotoxin;
Penicillium metabolite;
potassium channel blocker |
| catechin | [no description available] | low | 0 | 0 | hydrate | geroprotector |
| nitroflurbiprofen | [no description available] | low | 0 | 0 | biphenyls;
carboxylic ester;
nitrate ester;
organofluorine compound | cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector;
non-steroidal anti-inflammatory drug;
vasodilator agent |
| 1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline | geroprotector;
serotonergic agonist |
| fullerene c60 | [no description available] | low | 0 | 0 | fullerene | geroprotector |
| sb 203580 | [no description available] | low | 0 | 0 | imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent |
| latrepirdine | [no description available] | low | 0 | 0 | methylpyridines;
pyridoindole | geroprotector |
| lithium chloride | [no description available] | low | 0 | 0 | inorganic chloride;
lithium salt | antimanic drug;
geroprotector |
| glucosamine | [no description available] | low | 0 | 0 | D-glucosamine | Escherichia coli metabolite;
geroprotector;
mouse metabolite |
| nicotinamide-beta-riboside | [no description available] | low | 0 | 0 | N-glycosylnicotinamide;
pyridine nucleoside | geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| nortriptyline hydrochloride | [no description available] | low | 0 | 0 | organic tricyclic compound | geroprotector |
| kanamycin sulfate | [no description available] | low | 0 | 0 | aminoglycoside sulfate salt | antibacterial drug;
geroprotector |
| vinpocetine | [no description available] | low | 0 | 0 | alkaloid | geroprotector |
| dihydroergocristine monomesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | alpha-adrenergic antagonist;
geroprotector;
vasodilator agent |
| trichostatin a | [no description available] | low | 0 | 0 | antibiotic antifungal agent;
hydroxamic acid;
trichostatin | bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector |
| fumaric acid | [no description available] | low | 0 | 0 | butenedioic acid | food acidity regulator;
fundamental metabolite;
geroprotector |
| 5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol | [no description available] | low | 0 | 0 | carbotetracyclic compound;
polyphenol | estrogen receptor agonist;
estrogen receptor antagonist;
geroprotector;
neuroprotective agent |
| caffeic acid | [no description available] | low | 0 | 0 | caffeic acid | geroprotector;
mouse metabolite |
| cinnarizine | [no description available] | low | 0 | 0 | diarylmethane;
N-alkylpiperazine;
olefinic compound | anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist |
| 3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene | [no description available] | low | 0 | 0 | C-nitro compound;
sulfonamide;
toluenes | bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector |
| brl 15572 | [no description available] | low | 0 | 0 | monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol | geroprotector;
serotonergic antagonist |
| ly 367265 | [no description available] | low | 0 | 0 | dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline | antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor |
| sodium butyrate | [no description available] | low | 0 | 0 | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector |
| cholecalciferol | [no description available] | low | 0 | 0 | D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone | geroprotector;
human metabolite |
| methylergonovine maleate | [no description available] | low | 0 | 0 | ergoline alkaloid | geroprotector |
| 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 |
| chicoric acid | [no description available] | low | 0 | 0 | organooxygen compound | geroprotector;
HIV-1 integrase inhibitor |
| cis-flupenthixol dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride | geroprotector |
| n-oleoylethanolamine | [no description available] | low | 0 | 0 | endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist |
| cyclosporine | [no description available] | low | 0 | 0 | homodetic cyclic peptide | anti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite |
| kn 93 | [no description available] | low | 0 | 0 | monochlorobenzenes;
monomethoxybenzene;
primary alcohol;
sulfonamide;
tertiary amino compound | EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor;
geroprotector |
| 10-hydroxy-2-decenoic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
hydroxy monounsaturated fatty acid;
omega-hydroxy-medium-chain fatty acid;
straight-chain fatty acid | animal metabolite;
geroprotector |
| enalapril | [no description available] | low | 0 | 0 | dicarboxylic acid monoester;
dipeptide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug |
| 3,8-dihydroxy-6h-dibenzo(b,d)pyran-6-one | [no description available] | low | 0 | 0 | coumarins | geroprotector |
| guanabenz acetate | [no description available] | low | 0 | 0 | dichlorobenzene | geroprotector |
| b 43 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
| 5-(4-phenylbutoxy)psoralen | [no description available] | low | 0 | 0 | aromatic ether;
benzenes;
psoralens | geroprotector;
immunosuppressive agent;
potassium channel blocker |
| 3,3-diethyl-2-pyrrolidinone | [no description available] | low | 0 | 0 | pyrrolidin-2-ones | anticonvulsant;
geroprotector |
| n,n'-dibenzhydrylethane-1,2-diamine dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride | geroprotector;
metabotropic glutamate receptor agonist;
neuroprotective agent |
| valproate sodium | [no description available] | low | 0 | 0 | organic sodium salt | geroprotector |
| 4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines | geroprotector;
P450 inhibitor |
| chromium tripicolinate | [no description available] | low | 0 | 0 | chromium coordination entity | anti-obesity agent;
geroprotector;
hypoglycemic agent;
nutraceutical |
| didanosine | [no description available] | low | 0 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor |
| 7-methyljuglone | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone | |
| deoxyshikonin | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone | |
| beta, beta-dimethylacrylshikonin, (+)-isomer | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone | |
| isobutyrylshikonin | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone | |