| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| 8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | high | 1 | 0 | phenols;
tertiary amino compound;
tetralins | serotonergic antagonist |
| 1-(3-chlorophenyl)piperazine | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-arylpiperazine | drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic |
| cyproheptadine | [no description available] | medium | 1 | 0 | piperidines;
tertiary amine | anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist |
| desipramine | [no description available] | medium | 1 | 0 | dibenzoazepine;
secondary amino compound | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor |
| fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
| imipramine | [no description available] | medium | 4 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| methiothepin | [no description available] | high | 1 | 0 | aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound | antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist |
| mianserin | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist |
| mirtazapine | [no description available] | medium | 1 | 0 | benzazepine;
tetracyclic antidepressant | alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist |
| nan 190 | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
N-arylpiperazine;
phthalimides | serotonergic antagonist |
| octopamine | [no description available] | medium | 3 | 0 | phenylethanolamines;
tyramines | neurotransmitter |
| tyramine | [no description available] | medium | 9 | 0 | monoamine molecular messenger;
primary amino compound;
tyramines | EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter |
| phenylalanine | [no description available] | medium | 1 | 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 |
| paroxetine | [no description available] | medium | 1 | 0 | aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor |
| ipsapirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
| eltoprazine | [no description available] | medium | 1 | 0 | | |
| sertraline | [no description available] | medium | 1 | 0 | dichlorobenzene;
secondary amino compound;
tetralins | antidepressant;
serotonin uptake inhibitor |
| mm 77 | [no description available] | medium | 1 | 0 | piperazines | |
| fluorouracil | [no description available] | medium | 2 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| 4-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | allergen;
metabolite |
| indoleacetic acid | [no description available] | medium | 2 | 0 | indole-3-acetic acids;
monocarboxylic acid | auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite |
| melatonin | [no description available] | medium | 3 | 0 | acetamides;
tryptamines | anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger |
| epibatidine | [no description available] | medium | 1 | 0 | alkaloid | |
| aristolochic acid i | [no description available] | medium | 1 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| 5-methoxypsoralen | [no description available] | medium | 1 | 0 | 5-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens | hepatoprotective agent;
plant metabolite |
| 2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | cofactor |
| 3,3'-diindolylmethane | [no description available] | medium | 1 | 0 | indoles | antineoplastic agent;
P450 inhibitor |
| ellipticine | [no description available] | high | 1 | 0 | indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene | antineoplastic agent;
plant metabolite |
| embelin | [no description available] | medium | 1 | 0 | dihydroxy-1,4-benzoquinones | antimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite |
| emodin | [no description available] | medium | 1 | 0 | trihydroxyanthraquinone | antineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor |
| gossypol | [no description available] | medium | 1 | 0 | | |
| hypericin | [no description available] | medium | 1 | 0 | | |
| indole-3-carbinol | [no description available] | medium | 2 | 0 | indolyl alcohol | antineoplastic agent;
plant metabolite |
| nsc 664704 | [no description available] | medium | 1 | 0 | indolobenzazepine;
lactam;
organobromine compound | cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector |
| khellin | [no description available] | medium | 1 | 0 | furanochromone;
organic heterotricyclic compound;
oxacycle | anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent |
| kinetin | [no description available] | medium | 1 | 0 | 6-aminopurines;
furans | cytokinin;
geroprotector |
| beta-lapachone | [no description available] | medium | 1 | 0 | benzochromenone;
orthoquinones | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
| lavendustin a | [no description available] | medium | 1 | 0 | aromatic amine | |
| lavendustin b | [no description available] | medium | 1 | 0 | | |
| vitamin k 3 | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical |
| methoxsalen | [no description available] | medium | 1 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
| myristicin | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
| nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor |
| 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one | [no description available] | medium | 1 | 0 | isoquinolines | |
| patulin | [no description available] | medium | 1 | 0 | furopyran;
gamma-lactone;
lactol | antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite |
| phloretin | [no description available] | medium | 1 | 0 | dihydrochalcones | antineoplastic agent;
plant metabolite |
| sanguinarine | [no description available] | medium | 1 | 0 | alkaloid antibiotic;
benzophenanthridine alkaloid;
botanical anti-fungal agent | |
| streptonigrin | [no description available] | medium | 1 | 0 | pyridines;
quinolone | antimicrobial agent;
antineoplastic agent |
| tetrahydropapaverine | [no description available] | medium | 1 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
polyether;
secondary amino compound | |
| theobromine | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
| trioxsalen | [no description available] | medium | 1 | 0 | psoralens | dermatologic drug;
photosensitizing agent |
| mitomycin | [no description available] | medium | 1 | 0 | mitomycin | alkylating agent;
antineoplastic agent |
| reserpine | [no description available] | medium | 1 | 0 | alkaloid ester;
methyl ester;
yohimban alkaloid | adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic |
| pilocarpine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| cantharidin | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride;
monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide |
| physostigmine | [no description available] | medium | 1 | 0 | carbamate ester;
indole alkaloid | antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic |
| kanamycin a | [no description available] | medium | 2 | 0 | kanamycins | bacterial metabolite |
| veratramine | [no description available] | medium | 1 | 0 | piperidine alkaloid | |
| phlorhizin | [no description available] | medium | 1 | 0 | aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative | antioxidant;
plant metabolite |
| papaverine hydrochloride | [no description available] | medium | 1 | 0 | | |
| colchicine | [no description available] | medium | 1 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| yohimbine hydrochloride | [no description available] | medium | 1 | 0 | | |
| cycloheximide | [no description available] | medium | 2 | 0 | antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol | anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor |
| gliotoxin | [no description available] | medium | 1 | 0 | dipeptide;
organic disulfide;
organic heterotetracyclic compound;
pyrazinoindole | antifungal agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
immunosuppressive agent;
mycotoxin;
proteasome inhibitor |
| tubercidin | [no description available] | medium | 2 | 0 | antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside | antimetabolite;
antineoplastic agent;
bacterial metabolite |
| veratridine | [no description available] | medium | 1 | 0 | steroid | sodium channel modulator |
| gibberellic acid | [no description available] | medium | 1 | 0 | C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound | mouse metabolite;
plant metabolite |
| visnagin | [no description available] | medium | 1 | 0 | aromatic ether;
furanochromone;
polyketide | anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent |
| rotenone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin |
| skimmianine | [no description available] | medium | 1 | 0 | alkaloid antibiotic;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
| syrosingopine | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
| methylergonovine | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
| 2,2'-methylenebis(4-methyl-6-tert-butylphenol) | [no description available] | medium | 1 | 0 | diarylmethane | |
| indolebutyric acid | [no description available] | medium | 1 | 0 | indol-3-yl carboxylic acid | auxin;
plant hormone;
plant metabolite |
| shikimic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| monocrotaline | [no description available] | medium | 2 | 0 | pyrrolizidine alkaloid | |
| jervine | [no description available] | medium | 1 | 0 | piperidines | |
| glycyrrhetinic acid | [no description available] | medium | 1 | 0 | cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid | immunomodulator;
plant metabolite |
| boldine | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
| indirubin | [no description available] | medium | 1 | 0 | | |
| plumbagin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone;
phenols | anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite |
| cepharanthine | [no description available] | medium | 2 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
| aloe emodin | [no description available] | medium | 2 | 0 | aromatic primary alcohol;
dihydroxyanthraquinone | antineoplastic agent;
plant metabolite |
| osthol | [no description available] | medium | 3 | 0 | botanical anti-fungal agent;
coumarins | metabolite |
| cytisine | [no description available] | medium | 1 | 0 | alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound | nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite |
| bicuculline | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines | agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin |
| kainic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid | antinematodal drug;
excitatory amino acid agonist |
| thymoquinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | adjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite |
| oleanolic acid | [no description available] | medium | 2 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
| podophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| hesperidin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside | mutagen |
| azomycin | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles | antitubercular agent |
| Berberine chloride (TN) | [no description available] | medium | 1 | 0 | organic molecular entity | |
| vincamine | [no description available] | medium | 1 | 0 | alkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid | antihypertensive agent;
metabolite;
vasodilator agent |
| muscarine | [no description available] | medium | 1 | 0 | | |
| ecdysone | [no description available] | medium | 1 | 0 | 14alpha-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
6-oxo steroid;
ecdysteroid | prohormone |
| n-deacetyl-n-formylcolchicine | [no description available] | medium | 1 | 0 | cyclic ketone | |
| camptothecin | [no description available] | medium | 1 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
| tetradecanoylphorbol acetate | [no description available] | medium | 1 | 0 | acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester | antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator |
| 2-bromoergocryptine mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antiparkinson drug |
| zingerone | [no description available] | medium | 1 | 0 | methyl ketone;
monomethoxybenzene;
phenols | anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent |
| paclitaxel | [no description available] | medium | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
| etoposide | [no description available] | medium | 1 | 0 | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor |
| phorbol 12,13-dibutyrate | [no description available] | medium | 1 | 0 | butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone | |
| cephradine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
cephalosporin | antibacterial drug |
| quisqualic acid | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
| colforsin | [no description available] | medium | 1 | 0 | acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol | adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist |
| swainsonine | [no description available] | medium | 1 | 0 | indolizidine alkaloid | antineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite |
| castanospermine | [no description available] | medium | 1 | 0 | indolizidine alkaloid | anti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite |
| daunorubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
| mevastatin | [no description available] | medium | 1 | 0 | 2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite |
| ursolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | geroprotector;
plant metabolite |
| norharman | [no description available] | medium | 1 | 0 | beta-carbolines;
mancude organic heterotricyclic parent | fungal metabolite;
marine metabolite |
| betulinic acid | [no description available] | medium | 3 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite |
| epigallocatechin gallate | [no description available] | medium | 2 | 0 | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite |
| baccatin iii | [no description available] | medium | 1 | 0 | acetate ester;
benzoate ester;
tetracyclic diterpenoid | plant metabolite |
| taleranol | [no description available] | medium | 1 | 0 | macrolide | |
| narasin | [no description available] | medium | 1 | 0 | diterpene glycoside | |
| quassin | [no description available] | medium | 1 | 0 | triterpenoid | |
| tomatidine | [no description available] | medium | 1 | 0 | 3beta-hydroxy steroid;
azaspiro compound;
oxaspiro compound | |
| aloxistatin | [no description available] | medium | 2 | 0 | epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide | anticoronaviral agent;
cathepsin B inhibitor |
| rutecarpine | [no description available] | medium | 1 | 0 | beta-carbolines | |
| bergenin | [no description available] | medium | 2 | 0 | trihydroxybenzoic acid | metabolite |
| pinocembrin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
dihydroxyflavanone | antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent |
| isoscopoletin | [no description available] | medium | 1 | 0 | aromatic ether;
hydroxycoumarin | plant metabolite |
| vinburnine | [no description available] | medium | 1 | 0 | alkaloid | |
| epicatechin | [no description available] | medium | 1 | 0 | catechin;
polyphenol | antioxidant |
| hesperetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone | antineoplastic agent;
antioxidant;
plant metabolite |
| magnolol | [no description available] | medium | 1 | 0 | biphenyls | |
| honokiol | [no description available] | medium | 2 | 0 | biphenyls | |
| chelerythrine chloride | [no description available] | medium | 1 | 0 | | |
| betulin | [no description available] | medium | 1 | 0 | diol;
pentacyclic triterpenoid | analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite |
| tetrahydroalstonine | [no description available] | medium | 1 | 0 | methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid | plant metabolite |
| hernandezine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
| picropodophyllin | [no description available] | medium | 1 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor |
| tetrandrine | [no description available] | medium | 2 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
| dehydrocostus lactone | [no description available] | medium | 1 | 0 | gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone | antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug |
| madecassic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
pentacyclic triterpenoid;
tetrol | antioxidant;
plant metabolite |
| panaxadiol | [no description available] | medium | 1 | 0 | triterpenoid saponin | |
| tryptanthrine | [no description available] | medium | 1 | 0 | alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound | |
| homoeriodictyol | [no description available] | medium | 1 | 0 | 3'-methoxyflavanones;
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone | flavouring agent;
metabolite |
| 4-hydroxyindole | [no description available] | medium | 1 | 0 | hydroxyindoles;
phenols | |
| eriocitrin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones;
4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
rutinoside;
trihydroxyflavanone | antioxidant |
| 7,8-dihydromethysticin | [no description available] | medium | 1 | 0 | 2-pyranones;
aromatic ether | |
| nicotine | [no description available] | medium | 1 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic |
| cinchonine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol;
cinchona alkaloid | metabolite |
| aucubin | [no description available] | medium | 2 | 0 | organic molecular entity | metabolite |
| lupinine | [no description available] | medium | 1 | 0 | quinolizidine alkaloid | |
| matrine | [no description available] | medium | 1 | 0 | alkaloid | |
| friedelin | [no description available] | medium | 1 | 0 | cyclic terpene ketone;
pentacyclic triterpenoid | anti-inflammatory drug;
antipyretic;
non-narcotic analgesic;
plant metabolite |
| catalpol | [no description available] | medium | 2 | 0 | organic molecular entity | metabolite |
| quinine hydrochloride | [no description available] | medium | 1 | 0 | | |
| sarsasapogenin | [no description available] | medium | 1 | 0 | sapogenin | |
| corynanthine | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
| prunin protein, prunus | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative | antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite |
| podocarpic acid | [no description available] | medium | 1 | 0 | abietane diterpenoid | |
| harmol hydrochloride | [no description available] | medium | 1 | 0 | | |
| 5-Methoxyflavone | [no description available] | medium | 1 | 0 | ether;
flavonoids | |
| 10-hydroxycamptothecin | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | |
| corydaline | [no description available] | medium | 1 | 0 | isoquinoline alkaloid;
isoquinolines | |
| demissidine | [no description available] | medium | 1 | 0 | alkaloid;
organic heteropolycyclic compound;
steroid | |
| cinchonidine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol;
cinchona alkaloid | metabolite |
| propidium iodide | [no description available] | medium | 1 | 0 | organic iodide salt | |
| tryptoline | [no description available] | medium | 2 | 0 | beta-carbolines | |
| deguelin | [no description available] | medium | 1 | 0 | aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite |
| catechin | [no description available] | medium | 1 | 0 | hydrate | geroprotector |
| daidzin | [no description available] | medium | 2 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative | plant metabolite |
| cafestol | [no description available] | medium | 1 | 0 | diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite |
| parthenolide | [no description available] | medium | 1 | 0 | germacranolide | |
| homoorientin | [no description available] | medium | 1 | 0 | flavone C-glycoside;
tetrahydroxyflavone | antineoplastic agent;
radical scavenger |
| asiatic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
pentacyclic triterpenoid;
triol | angiogenesis modulating agent;
metabolite |
| angustmycin a | [no description available] | medium | 1 | 0 | 6-aminopurines | |
| razadyne | [no description available] | medium | 1 | 0 | | |
| phytosphingosine | [no description available] | medium | 1 | 0 | amino alcohol;
sphingoid;
triol | mouse metabolite;
Saccharomyces cerevisiae metabolite |
| tetradecanoylphorbol acetate | [no description available] | medium | 1 | 0 | | |
| celastrol | [no description available] | medium | 2 | 0 | monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite |
| 4'-demethylepipodophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole;
organic heterotetracyclic compound;
phenols | antineoplastic agent |
| n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 2 | 0 | leucine derivative | |
| e 64 | [no description available] | medium | 2 | 0 | dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion | antimalarial;
antiparasitic agent;
protease inhibitor |
| sinensetin | [no description available] | medium | 1 | 0 | pentamethoxyflavone | plant metabolite |
| harmalol hydrochloride | [no description available] | medium | 1 | 0 | | |
| hyoscyamine | [no description available] | medium | 1 | 0 | tropane alkaloid | |
| schizandrin a | [no description available] | medium | 1 | 0 | | |
| schizandrin b | [no description available] | medium | 1 | 0 | aromatic ether;
cyclic acetal;
organic heterotetracyclic compound;
oxacycle;
tannin | anti-asthmatic agent;
anti-inflammatory agent;
antilipemic drug;
antioxidant;
apoptosis inhibitor;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
plant metabolite |
| cryptotanshinone | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
| isosakuranetin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone | plant metabolite |
| isovitexin | [no description available] | medium | 1 | 0 | C-glycosyl compound;
trihydroxyflavone | EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite |
| sclareol | [no description available] | medium | 1 | 0 | labdane diterpenoid | antifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite |
| tanshinone ii a | [no description available] | medium | 2 | 0 | abietane diterpenoid | |
| leucodin | [no description available] | medium | 1 | 0 | sesquiterpene lactone | |
| limonin | [no description available] | medium | 2 | 0 | epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound | inhibitor;
metabolite;
volatile oil component |
| maduramicin | [no description available] | medium | 1 | 0 | | |
| chelidonine | [no description available] | medium | 2 | 0 | alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid | |
| troleandomycin | [no description available] | medium | 1 | 0 | acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic |
| santonin | [no description available] | medium | 1 | 0 | botanical anti-fungal agent;
santonin | plant metabolite |
| sitosterol, (3beta)-isomer | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol | anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor |
| vincristine sulfate | [no description available] | medium | 1 | 0 | organic sulfate salt | antineoplastic agent;
geroprotector |
| anisomycin | [no description available] | medium | 1 | 0 | monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor |
| acetylstrophanthidin | [no description available] | medium | 1 | 0 | acetate ester | anti-arrhythmia drug |
| Harringtonine | [no description available] | medium | 1 | 0 | alkaloid | |
| acivicin | [no description available] | medium | 1 | 0 | isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite |
| ketopinic acid | [no description available] | medium | 1 | 0 | | |
| wortmannin | [no description available] | medium | 1 | 0 | acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound | anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent |
| gitoxigenin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid;
16beta-hydroxy steroid;
3beta-hydroxy steroid | |
| graveoline | [no description available] | medium | 1 | 0 | quinolines | |
| 4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en | [no description available] | medium | 1 | 0 | | |
| naringenin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
naringenin | expectorant;
plant metabolite |
| ouabain | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone | anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite |
| puromycin | [no description available] | medium | 1 | 0 | puromycins | antiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor |
| taxifolin | [no description available] | medium | 1 | 0 | taxifolin | metabolite |
| mimosine | [no description available] | medium | 1 | 0 | 4-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid | EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
| eriodictyol | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones;
tetrahydroxyflavanone | |
| arbutin | [no description available] | medium | 2 | 0 | beta-D-glucoside;
monosaccharide derivative | Escherichia coli metabolite;
plant metabolite |
| quinidine | [no description available] | medium | 2 | 0 | cinchona alkaloid | alpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker |
| conessine | [no description available] | high | 2 | 0 | steroid alkaloid;
tertiary amino compound | antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite |
| griseofulvin | [no description available] | medium | 1 | 0 | 1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound | antibacterial agent;
Penicillium metabolite |
| digitoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
| hyperforin | [no description available] | medium | 1 | 0 | | |
| deltaline | [no description available] | medium | 1 | 0 | acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound | |
| ingenol | [no description available] | medium | 1 | 0 | cyclic terpene ketone;
tetracyclic diterpenoid | |
| picrotin | [no description available] | medium | 1 | 0 | diol;
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol | plant metabolite |
| picrotoxinin | [no description available] | medium | 1 | 0 | epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol | GABA antagonist;
plant metabolite;
serotonergic antagonist |
| naringin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside | anti-inflammatory agent;
antineoplastic agent;
metabolite |
| isonaringin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside | anti-inflammatory agent;
antioxidant;
metabolite |
| ochratoxin a | [no description available] | medium | 1 | 0 | isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative | Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent |
| gingerol | [no description available] | medium | 1 | 0 | beta-hydroxy ketone;
guaiacols | antineoplastic agent;
plant metabolite |
| securinine | [no description available] | medium | 1 | 0 | indolizines | |
| Dubinidine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
| cyclopamine | [no description available] | medium | 1 | 0 | piperidines | glioma-associated oncogene inhibitor |
| doxorubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
| vinpocetine | [no description available] | medium | 1 | 0 | alkaloid | geroprotector |
| dihydroergocristine monomesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | alpha-adrenergic antagonist;
geroprotector;
vasodilator agent |
| tretinoin | [no description available] | medium | 1 | 0 | retinoic acid;
vitamin A | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule |
| resveratrol | [no description available] | medium | 2 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
| ferulic acid | [no description available] | medium | 2 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
| thapsigargin | [no description available] | medium | 1 | 0 | butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone | calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
| mycophenolic acid | [no description available] | medium | 1 | 0 | 2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic |
| alitretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist |
| L-cycloserine | [no description available] | medium | 2 | 0 | 4-amino-1,2-oxazolidin-3-one | anti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor |
| 12-deoxyphorbol 13-acetate | [no description available] | medium | 1 | 0 | phorbol ester | metabolite |
| dactinomycin | [no description available] | medium | 1 | 0 | actinomycin | mutagen |
| aphidicolin | [no description available] | medium | 1 | 0 | tetracyclic diterpenoid | antimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite |
| (+)-usnic acid | [no description available] | medium | 1 | 0 | usnic acid | |
| beta, beta-dimethylacrylshikonin, (+)-isomer | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | |
| shikonin | [no description available] | medium | 2 | 0 | hydroxy-1,4-naphthoquinone | |
| rhapontin | [no description available] | medium | 1 | 0 | rhaponticin | angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
hypoglycemic agent;
neuroprotective agent;
plant metabolite |
| piperine | [no description available] | medium | 2 | 0 | benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide | food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite |
| rauwolscine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
| amygdalin | [no description available] | medium | 1 | 0 | amygdalin | antineoplastic agent;
apoptosis inducer;
plant metabolite |
| hydrastine, (r-(r*,s*))-isomer | [no description available] | medium | 1 | 0 | isoquinolines | |
| vasicine | [no description available] | medium | 1 | 0 | | |
| 3,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 1 | 0 | catechols;
polyphenol;
resorcinols;
stilbenol | antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor |
| caffeic acid | [no description available] | medium | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
| cotinine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid | antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite |
| heliotrine | [no description available] | medium | 1 | 0 | pyrrolizines | |
| sclareolide | [no description available] | medium | 1 | 0 | naphthofuran | |
| hypocrellin b | [no description available] | medium | 1 | 0 | | |
| capsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| aurapten | [no description available] | medium | 1 | 0 | coumarins;
monoterpenoid | antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary |
| chlorogenic acid | [no description available] | medium | 1 | 0 | cinnamate ester;
tannin | food component;
plant metabolite |
| fumonisin b2 | [no description available] | medium | 1 | 0 | diester;
diol;
fumonisin;
primary amino compound | Aspergillus metabolite;
carcinogenic agent |
| lincomycin | [no description available] | medium | 1 | 0 | carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound | antimicrobial agent;
bacterial metabolite |
| valinomycin | [no description available] | medium | 1 | 0 | cyclodepsipeptide;
macrocycle | antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore |
| orlistat | [no description available] | medium | 2 | 0 | beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative | anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
| 12-deoxyphorbolphenylacetate-20-acetate | [no description available] | medium | 1 | 0 | | |
| brassinin | [no description available] | medium | 1 | 0 | dithiocarbamic ester;
indole phytoalexin | |
| chaetomellic acid a | [no description available] | medium | 1 | 0 | | |
| hirsutine | [no description available] | medium | 1 | 0 | | |
| 3-deoxyvasicine, hydrochloride | [no description available] | medium | 1 | 0 | | |
| emetine dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor |
| salinomycin | [no description available] | medium | 1 | 0 | polyketide;
spiroketal | animal growth promotant;
potassium ionophore |
| silybin | [no description available] | medium | 1 | 0 | | |
| 5,6-dehydrokawain | [no description available] | medium | 1 | 0 | 2-pyranones;
aromatic ether | |
| 9,10-dihydrolysergol | [no description available] | medium | 1 | 0 | | |
| geranylgeranic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
diterpenoid;
methyl-branched fatty acid;
trienoic fatty acid | |
| quercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
| dinoprostone | [no description available] | medium | 1 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
| dinoprost | [no description available] | medium | 1 | 0 | monocarboxylic acid;
prostaglandins Falpha | human metabolite;
mouse metabolite |
| biochanin a | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
| formononetin | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | phytoestrogen;
plant metabolite |
| prostaglandin b1 | [no description available] | medium | 1 | 0 | prostaglandins B | human metabolite |
| sterigmatocystin | [no description available] | medium | 1 | 0 | sterigmatocystins | metabolite |
| vitexin | [no description available] | medium | 1 | 0 | C-glycosyl compound;
trihydroxyflavone | antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor |
| acacetin | [no description available] | medium | 1 | 0 | dihydroxyflavone;
monomethoxyflavone | anticonvulsant;
plant metabolite |
| apigenin | [no description available] | medium | 1 | 0 | trihydroxyflavone | antineoplastic agent;
metabolite |
| luteolin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid;
tetrahydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist |
| quercitrin | [no description available] | medium | 1 | 0 | alpha-L-rhamnoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone | antileishmanial agent;
antioxidant;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
| scopoletin | [no description available] | medium | 1 | 0 | hydroxycoumarin | plant growth regulator;
plant metabolite |
| hymecromone | [no description available] | medium | 1 | 0 | hydroxycoumarin | antineoplastic agent;
hyaluronic acid synthesis inhibitor |
| alprostadil | [no description available] | medium | 1 | 0 | prostaglandins E | anticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent |
| quercetin 3-o-glucopyranoside | [no description available] | medium | 1 | 0 | beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone | antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite |
| rutin | [no description available] | medium | 2 | 0 | disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone | antioxidant;
metabolite |
| kaempferol | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
| senecionine | [no description available] | medium | 1 | 0 | lactone;
pyrrolizidine alkaloid;
tertiary alcohol | plant metabolite |
| genistein | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
| amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite |
| butein | [no description available] | medium | 1 | 0 | chalcones;
polyphenol | antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor |
| sulfuretin | [no description available] | medium | 1 | 0 | 1-benzofurans | |
| genistin | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside | |
| chartreusin | [no description available] | medium | 1 | 0 | benzochromenone;
glycoside | |
| methysticin | [no description available] | medium | 1 | 0 | 2-pyranones;
aromatic ether | |
| yangonin | [no description available] | medium | 1 | 0 | 2-pyranones;
aromatic ether | |
| zearalenone | [no description available] | medium | 1 | 0 | macrolide;
resorcinols | fungal metabolite;
mycoestrogen |
| baicalein | [no description available] | medium | 3 | 0 | trihydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger |
| chrysin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
dihydroxyflavone | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite |
| datiscetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
tetrahydroxyflavone | |
| diosmetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid;
monomethoxyflavone;
trihydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
plant metabolite;
tropomyosin-related kinase B receptor agonist;
vasodilator agent |
| diosmin | [no description available] | medium | 1 | 0 | dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside | anti-inflammatory agent;
antioxidant |
| fisetin | [no description available] | medium | 2 | 0 | 3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone | anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite |
| galangin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
trihydroxyflavone | antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite |
| 3-methylquercetin | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone | anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite |
| morin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent |
| myricetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite |
| rhamnetin | [no description available] | medium | 1 | 0 | monomethoxyflavone;
tetrahydroxyflavone | anti-inflammatory agent;
antioxidant;
metabolite |
| robinetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | plant metabolite |
| tamarixetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone | antioxidant;
metabolite |
| wogonin | [no description available] | medium | 2 | 0 | dihydroxyflavone;
monomethoxyflavone | angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite |
| coumestrol | [no description available] | medium | 1 | 0 | coumestans;
delta-lactone;
polyphenol | anti-inflammatory agent;
antioxidant;
plant metabolite |
| daidzein | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite |
| caffeic acid phenethyl ester | [no description available] | medium | 1 | 0 | alkyl caffeate ester | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent |
| rosmarinic acid | [no description available] | medium | 1 | 0 | rosmarinic acid | geroprotector;
plant metabolite |
| wedelolactone | [no description available] | medium | 1 | 0 | aromatic ether;
coumestans;
delta-lactone;
polyphenol | antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite |
| rottlerin | [no description available] | medium | 1 | 0 | aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone | anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite |
| ellagic acid | [no description available] | medium | 1 | 0 | catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol | antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent |
| 7-hydroxyflavone | [no description available] | medium | 1 | 0 | hydroxyflavonoid | |
| prostaglandin a1 | [no description available] | medium | 1 | 0 | prostaglandins A | |
| cerulenin | [no description available] | medium | 1 | 0 | epoxide;
monocarboxylic acid amide | antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor |
| rhoifolin | [no description available] | medium | 1 | 0 | dihydroxyflavone;
glycosyloxyflavone;
neohesperidoside | metabolite |
| vitexin rhamnoside | [no description available] | medium | 1 | 0 | C-glycosyl compound;
disaccharide derivative;
trihydroxyflavone | plant metabolite |
| domoic acid | [no description available] | medium | 1 | 0 | L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid | algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin |
| isotretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
teratogenic agent |
| cyclosporine | [no description available] | medium | 1 | 0 | homodetic cyclic peptide | anti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite |
| natamycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic | antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug |
| sirolimus | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol | antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor |
| brefeldin a | [no description available] | medium | 1 | 0 | macrolide antibiotic | Penicillium metabolite |
| cytochalasin b | [no description available] | medium | 2 | 0 | cytochalasin;
lactam;
lactone;
organic heterotricyclic compound | actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor |
| vinorelbine | [no description available] | medium | 1 | 0 | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid | antineoplastic agent;
photosensitizing agent |
| bisdemethoxycurcumin | [no description available] | medium | 1 | 0 | beta-diketone;
diarylheptanoid;
enone;
polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite |
| andrographolide | [no description available] | medium | 1 | 0 | carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol | anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite |
| isorhamnetin 3-o-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone | metabolite |
| 6,7-dihydroxyflavone | [no description available] | medium | 1 | 0 | | |
| flavokawain a | [no description available] | medium | 1 | 0 | chalcones | |
| flavokawain b | [no description available] | medium | 1 | 0 | chalcones;
dimethoxybenzene;
phenols | anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite |
| kavain | [no description available] | medium | 1 | 0 | racemate | glycine receptor antagonist |
| abscisic acid, (+,-)-isomer | [no description available] | medium | 1 | 0 | abscisic acids | abscisic acid receptor agonist |
| veratrine | [no description available] | medium | 1 | 0 | alkaloid | |
| vinblastine sulfate | [no description available] | medium | 1 | 0 | | |
| catharanthine | [no description available] | medium | 1 | 0 | alkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | |
| cytochalasin e | [no description available] | medium | 1 | 0 | cytochalasan alkaloid | metabolite |
| cytochalasin d | [no description available] | medium | 1 | 0 | | |
| sinomenine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| ecdysterone | [no description available] | medium | 1 | 0 | 14alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid | animal metabolite;
plant metabolite |
| bleomycin | [no description available] | medium | 1 | 0 | bleomycin | antineoplastic agent;
metabolite |
| bakuchiol | [no description available] | medium | 1 | 0 | | |
| zerumbone | [no description available] | medium | 1 | 0 | cyclic ketone;
sesquiterpenoid | anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite |
| solanesol | [no description available] | medium | 2 | 0 | nonaprenol;
primary alcohol | plant metabolite |
| (1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
| n-caproylsphingosine | [no description available] | medium | 1 | 0 | N-acylsphingosine | |
| monorden | [no description available] | medium | 1 | 0 | cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols | antifungal agent;
metabolite;
tyrosine kinase inhibitor |
| ginkgolide b | [no description available] | medium | 1 | 0 | | |
| homatropine hydrobromide, (endo-(+-)-isomer) | [no description available] | medium | 1 | 0 | | |
| hydrocotarnine hydrobromide | [no description available] | medium | 1 | 0 | | |
| salsolinol hydrobromide | [no description available] | medium | 1 | 0 | | |
| lasalocid sodium | [no description available] | medium | 1 | 0 | benzoates;
organic sodium salt | coccidiostat;
ionophore |
| sclerotiorin | [no description available] | medium | 1 | 0 | azaphilone | |
| himbacine | [no description available] | medium | 1 | 0 | gamma-lactone;
organic heterotricyclic compound;
piperidine alkaloid | muscarinic antagonist |
| ebelactone b | [no description available] | medium | 1 | 0 | | |
| 3-o-methylbutein | [no description available] | medium | 1 | 0 | chalcones | |
| thermozymocidin | [no description available] | medium | 1 | 0 | alpha-amino fatty acid;
hydroxy monocarboxylic acid;
non-proteinogenic alpha-amino acid;
sphingoid | antifungal agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor;
fungal metabolite;
immunosuppressive agent |
| marein | [no description available] | medium | 1 | 0 | flavonoids;
glycoside | |
| hydroxyachillin | [no description available] | medium | 1 | 0 | gamma-lactone | |
| butylscopolammonium bromide | [no description available] | medium | 1 | 0 | | |
| fumagillin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
carboxylic ester;
dicarboxylic acid monoester;
meroterpenoid;
organooxygen heterocyclic antibiotic;
spiro-epoxide | angiogenesis inhibitor;
antibacterial drug;
antimicrobial agent;
antiprotozoal drug;
fungal metabolite;
methionine aminopeptidase 2 inhibitor |
| artesunate | [no description available] | medium | 2 | 0 | artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid | antimalarial;
antineoplastic agent;
ferroptosis inducer |
| anisodamine | [no description available] | medium | 1 | 0 | | |
| bufalin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid;
3beta-hydroxy steroid | animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug |
| alpha-solanine | [no description available] | medium | 1 | 0 | glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative | antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite |
| apigenin-7-o-rutinoside | [no description available] | medium | 1 | 0 | | |
| gambogic acid | [no description available] | medium | 1 | 0 | pyranoxanthones | metabolite |
| bn 52020 | [no description available] | medium | 1 | 0 | | |
| carmine | [no description available] | medium | 1 | 0 | C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone | animal metabolite;
histological dye |
| bavachinin | [no description available] | medium | 1 | 0 | flavanones | |
| grayanotoxin iii | [no description available] | medium | 1 | 0 | | |
| Dihydrotanshinone I | [no description available] | medium | 2 | 0 | abietane diterpenoid | anticoronaviral agent |
| calcimycin | [no description available] | medium | 1 | 0 | benzoxazole | |
| cinobufagin | [no description available] | medium | 1 | 0 | steroid lactone | |
| atropine sulfate | [no description available] | medium | 1 | 0 | | |
| cannogenin thevetoside | [no description available] | medium | 1 | 0 | cardenolide glycoside | |
| eriodictyol 7-O-beta-D-glucopyranoside | [no description available] | medium | 1 | 0 | beta-D-glucoside;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone | plant metabolite;
radical scavenger |
| hypocrellin a | [no description available] | medium | 1 | 0 | | |
| dihydrorobinetin | [no description available] | medium | 1 | 0 | | |
| monensin | [no description available] | medium | 1 | 0 | | |
| minocycline | [no description available] | medium | 1 | 0 | | |
| dicumarol | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist |
| citrinin | [no description available] | medium | 1 | 0 | | |
| vulpinic acid | [no description available] | medium | 1 | 0 | butenolide | |
| ajmaline | [no description available] | medium | 1 | 0 | | |
| rifampin | [no description available] | medium | 1 | 0 | cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion | angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor |
| alpha-cyclopiazonic acid | [no description available] | medium | 1 | 0 | alpha-cyclopiazonic acids | |
| memantine | [no description available] | medium | 1 | 0 | adamantanes;
primary aliphatic amine | antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist |
| nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| tetrodotoxin | [no description available] | medium | 1 | 0 | | |
| gallic acid | [no description available] | medium | 2 | 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 |
| n-acetylserotonin | [no description available] | medium | 1 | 0 | acetamides;
N-acylserotonin;
phenols | antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist |
| naringenin | [no description available] | medium | 1 | 0 | 4'-hydroxyflavanones;
trihydroxyflavanone | |
| phenethylamine | [no description available] | medium | 1 | 0 | alkaloid;
aralkylamine;
phenylethylamine | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| tryptamine | [no description available] | high | 4 | 0 | aminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines | human metabolite;
mouse metabolite;
plant metabolite |
| 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | [no description available] | medium | 1 | 0 | catechin | |
| hydroxyindoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids | drug metabolite;
human metabolite;
mouse metabolite |
| 5-methoxytryptamine | [no description available] | medium | 1 | 0 | aromatic ether;
primary amino compound;
tryptamines | 5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist |
| 7,8-dihydroxyflavone | [no description available] | medium | 1 | 0 | dihydroxyflavone | antidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist |
| 4',7-dihydroxyflavanone | [no description available] | medium | 1 | 0 | 4'-hydroxyflavanones;
dihydroxyflavanone;
polyphenol | Brassica napus metabolite;
fungal xenobiotic metabolite |
| harmaline | [no description available] | medium | 2 | 0 | harmala alkaloid | oneirogen |
| n-methyltryptamine | [no description available] | medium | 1 | 0 | tryptamine alkaloid;
tryptamines | metabolite |
| yohimbine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist |
| methyl-4-tyramine | [no description available] | medium | 2 | 0 | tyramines | mouse metabolite |
| n-methylphenethylamine | [no description available] | medium | 1 | 0 | | |
| tabersonine | [no description available] | medium | 1 | 0 | alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound | antineoplastic agent;
metabolite |
| 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | [no description available] | medium | 2 | 0 | gallate ester;
galloyl beta-D-glucose | anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger |
| maslinic acid | [no description available] | medium | 2 | 0 | dihydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| quindoline | [no description available] | medium | 1 | 0 | | |
| pumiliotoxin c | [no description available] | medium | 1 | 0 | | |
| diazaquinomycin a | [no description available] | medium | 1 | 0 | quinolone | |
| fraxinellone | [no description available] | medium | 1 | 0 | 2-benzofurans | |
| glabridin | [no description available] | medium | 1 | 0 | hydroxyisoflavans | antiplasmodial drug |
| 6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene | [no description available] | medium | 1 | 0 | monoterpenoid;
organobromine compound;
organochlorine compound | algal metabolite;
antineoplastic agent;
marine metabolite |
| pseudonicotine | [no description available] | medium | 1 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | |
| deferrioxamine e | [no description available] | medium | 1 | 0 | cyclic desferrioxamine;
cyclic hydroxamic acid;
macrocycle | antineoplastic agent;
bacterial metabolite;
marine metabolite;
siderophore |
| 4'-hydroxyflavanone | [no description available] | medium | 1 | 0 | 4'-hydroxyflavanones;
monohydroxyflavanone | |
| lupeol | [no description available] | medium | 1 | 0 | pentacyclic triterpenoid;
secondary alcohol | anti-inflammatory drug;
plant metabolite |
| crinine | [no description available] | medium | 1 | 0 | alkaloid | |
| strychnine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid;
organic heteroheptacyclic compound | avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide |
| micheliolide | [no description available] | medium | 1 | 0 | sesquiterpene lactone | |
| pancracine | [no description available] | medium | 1 | 0 | isoquinoline alkaloid fundamental parent;
isoquinoline alkaloid | |
| trichodermamide b | [no description available] | medium | 1 | 0 | | |
| helvolic acid | [no description available] | medium | 1 | 0 | 3-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid | antibacterial agent;
fungal metabolite;
mycotoxin |
| mitragynine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid | |
| paynantheine | [no description available] | medium | 1 | 0 | | |
| chimonanthine | [no description available] | medium | 1 | 0 | chimonanthine | |
| 3-deoxyisoochracinic acid | [no description available] | medium | 1 | 0 | | |
| luteolin-7-glucoside | [no description available] | medium | 2 | 0 | beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antioxidant;
plant metabolite |
| harmine | [no description available] | medium | 2 | 0 | harmala alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite |
| kaempferol 3-o-rhamnoside | [no description available] | medium | 1 | 0 | glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | anti-inflammatory agent;
antibacterial agent;
plant metabolite |
| 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | medium | 2 | 0 | dihydroxyflavone;
monomethoxyflavone | antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| radicinin | [no description available] | medium | 1 | 0 | aromatic ketone | |
| calycanthine | [no description available] | medium | 1 | 0 | aminal;
calycanthaceous alkaloid;
organonitrogen heterocyclic compound | |
| xanthoepocin | [no description available] | medium | 1 | 0 | | |
| herboxidiene | [no description available] | medium | 1 | 0 | | |
| (1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one | [no description available] | medium | 2 | 0 | germacranolide | |
| panduratin a | [no description available] | medium | 1 | 0 | diarylheptanoid | metabolite |
| (3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone | [no description available] | medium | 2 | 0 | oligopeptide | |
| 13-epi-sclareol | [no description available] | medium | 1 | 0 | | |
| akuammicine | [no description available] | high | 1 | 0 | methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | plant metabolite |
| hermitamide b | [no description available] | medium | 1 | 0 | | |
| trans-delta-tocotrienoloic acid | [no description available] | medium | 1 | 0 | tocotrienol | |
| nodulisporic acid a | [no description available] | medium | 1 | 0 | | |
| scopadulcic acid b | [no description available] | medium | 1 | 0 | | |
| gliocladin c | [no description available] | medium | 1 | 0 | | |
| zincophorin | [no description available] | medium | 1 | 0 | pyrans | bacterial metabolite;
ionophore |
| streptazolin | [no description available] | medium | 1 | 0 | | |
| chatancin | [no description available] | medium | 1 | 0 | | |
| morelloflavone | [no description available] | medium | 1 | 0 | biflavonoid;
hydroxyflavanone;
hydroxyflavone | plant metabolite |
| cinnamosmolide | [no description available] | medium | 1 | 0 | | |
| 15-deoxygoyazensolide | [no description available] | medium | 1 | 0 | | |
| mitragynine | [no description available] | medium | 1 | 0 | | |
| spongia-13(16),14-dien-19-oic acid | [no description available] | medium | 1 | 0 | cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid | androgen antagonist;
metabolite |
| roquefortine | [no description available] | medium | 1 | 0 | pyrroloindole | |
| 3-(3,4-dihydroxyphenyl)lactate | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid anion | |
| marinopyrrole a | [no description available] | medium | 1 | 0 | aromatic ketone;
organochlorine compound;
phenols;
pyrroles | antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite |
| colletoic acid | [no description available] | medium | 1 | 0 | | |
| ipomoeassin f | [no description available] | medium | 1 | 0 | | |
| 6,8-dihydroxy-2,2,4,4-tetramethyl-7-(3-methylbutanoyl)-9-(2-methylpropyl)-9h-xanthene-1,3-dione | [no description available] | medium | 1 | 0 | xanthenes | |
| 7-hydroxymitragynine | [no description available] | medium | 1 | 0 | alkaloid | |
| dorrigocin b | [no description available] | medium | 1 | 0 | | |
| dorrigocin a | [no description available] | medium | 1 | 0 | | |
| tatanan a | [no description available] | medium | 1 | 0 | | |
| ilicicolin h | [no description available] | medium | 1 | 0 | aromatic ketone;
carbobicyclic compound;
ilicicolin;
monohydroxypyridine;
octahydronaphthalenes;
phenols;
pyridone | antimicrobial agent;
mitochondrial respiratory-chain inhibitor |
| tatanan b | [no description available] | medium | 1 | 0 | | |
| gracilioether f | [no description available] | medium | 1 | 0 | | |
| cryptocaryol a | [no description available] | medium | 1 | 0 | 2-pyranones;
pentol | plant metabolite |
| tetrahydroamentoflavone | [no description available] | medium | 1 | 0 | | |
| nataxazole | [no description available] | medium | 1 | 0 | | |
| aminolevulinic acid | [no description available] | medium | 1 | 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 |
| coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
| thioctic acid | [no description available] | medium | 1 | 0 | dithiolanes;
heterocyclic fatty acid;
thia fatty acid | fundamental metabolite;
geroprotector |
| picolinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | human metabolite;
MALDI matrix material |
| thiamine | [no description available] | medium | 1 | 0 | primary alcohol;
vitamin B1 | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 3-aminobenzamide | [no description available] | medium | 1 | 0 | benzamides;
substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| pleconaril | [no description available] | medium | 1 | 0 | | |
| 4-(2-aminoethyl)benzenesulfonylfluoride | [no description available] | medium | 1 | 0 | | |
| phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| acetazolamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| alprenolol | [no description available] | medium | 1 | 0 | secondary alcohol;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent |
| amantadine | [no description available] | medium | 1 | 0 | adamantanes;
primary aliphatic amine | analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic |
| 2-aminothiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
primary amino compound | |
| amodiaquine | [no description available] | medium | 1 | 0 | aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug |
| aspirin | [no description available] | medium | 1 | 0 | benzoic acids;
phenyl acetates;
salicylates | anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent |
| baclofen | [no description available] | medium | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound | central nervous system depressant;
GABA agonist;
muscle relaxant |
| benzamide | [no description available] | medium | 1 | 0 | benzamides | |
| camostat | [no description available] | medium | 1 | 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 |
| camphor, (+-)-isomer | [no description available] | medium | 1 | 0 | bornane monoterpenoid;
cyclic monoterpene ketone | plant metabolite |
| candesartan | [no description available] | medium | 1 | 0 | benzimidazolecarboxylic acid;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| cetylpyridinium | [no description available] | medium | 1 | 0 | pyridinium ion | |
| chloroxylenol | [no description available] | medium | 1 | 0 | monochlorobenzenes;
phenols | antiseptic drug;
disinfectant;
molluscicide |
| chlorpromazine | [no description available] | medium | 1 | 0 | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug |
| ciprofibrate | [no description available] | medium | 1 | 0 | cyclopropanes;
monocarboxylic acid;
organochlorine compound | antilipemic drug |
| clomipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | anticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor |
| danthron | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | apoptosis inducer;
plant metabolite |
| deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator;
protective agent |
| dipyridamole | [no description available] | medium | 1 | 0 | piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol | adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent |
| disulfiram | [no description available] | medium | 1 | 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 |
| valproic acid | [no description available] | medium | 1 | 0 | branched-chain fatty acid;
branched-chain saturated fatty acid | anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent |
| doxazosin | [no description available] | medium | 1 | 0 | aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines | alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent |
| ebselen | [no description available] | medium | 1 | 0 | benzoselenazole | anti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger |
| etidronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent;
bone density conservation agent;
chelator |
| 2-hexyloxybenzamide | [no description available] | medium | 1 | 0 | aromatic ether;
benzamides | antifungal agent |
| brl 42810 | [no description available] | medium | 1 | 0 | 2-aminopurines;
acetate ester | antiviral drug;
prodrug |
| fluphenazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
organofluorine compound;
phenothiazines | anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| gabexate | [no description available] | medium | 1 | 0 | benzoate ester | |
| glutaral | [no description available] | medium | 1 | 0 | dialdehyde | cross-linking reagent;
disinfectant;
fixative |
| fasudil | [no description available] | medium | 1 | 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 |
| haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| miltefosine | [no description available] | medium | 1 | 0 | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor |
| hexylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
| beta-thujaplicin | [no description available] | medium | 1 | 0 | cyclic ketone;
enol;
monoterpenoid | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite |
| hycanthone | [no description available] | medium | 1 | 0 | thioxanthenes | mutagen;
schistosomicide drug |
| hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| hydroxyurea | [no description available] | medium | 1 | 0 | one-carbon compound;
ureas | antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent |
| ibuprofen | [no description available] | medium | 1 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
| indomethacin | [no description available] | medium | 1 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
| avapro | [no description available] | medium | 1 | 0 | azaspiro compound;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| itraconazole | [no description available] | medium | 1 | 0 | piperazines | |
| kojic acid | [no description available] | medium | 1 | 0 | 4-pyranones;
enol;
primary alcohol | Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent |
| lapachol | [no description available] | medium | 1 | 0 | | |
| loperamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist |
| loratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide | anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist |
| losartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole;
imidazoles | angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist |
| 4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | [no description available] | medium | 1 | 0 | benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| mafenide | [no description available] | medium | 1 | 0 | aromatic amine | |
| methazolamide | [no description available] | medium | 1 | 0 | sulfonamide;
thiadiazoles | |
| methocarbamol | [no description available] | medium | 1 | 0 | aromatic ether;
carbamate ester;
secondary alcohol | |
| mitoxantrone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
| entinostat | [no description available] | medium | 1 | 0 | benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| ethylmaleimide | [no description available] | medium | 1 | 0 | maleimides | anticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor |
| nabumetone | [no description available] | medium | 1 | 0 | methoxynaphthalene;
methyl ketone | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| nafamostat | [no description available] | medium | 1 | 0 | benzoic acids;
guanidines | |
| nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes;
dipyridodiazepine | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| omeprazole | [no description available] | medium | 1 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
| osalmide | [no description available] | medium | 1 | 0 | organic molecular entity | |
| oxethazaine | [no description available] | medium | 1 | 0 | amino acid amide | |
| palmidrol | [no description available] | medium | 1 | 0 | endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent |
| papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines | antispasmodic drug;
vasodilator agent |
| pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
| perhexiline | [no description available] | medium | 1 | 0 | piperidines | cardiovascular drug |
| phenazopyridine | [no description available] | medium | 1 | 0 | diaminopyridine;
monoazo compound | anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| 4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
| phenylmethylsulfonyl fluoride | [no description available] | medium | 1 | 0 | acyl fluoride | serine proteinase inhibitor |
| pimobendan | [no description available] | medium | 1 | 0 | benzimidazoles;
pyridazinone | cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent |
| pj-34 | [no description available] | medium | 1 | 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 |
| praziquantel | [no description available] | medium | 1 | 0 | isoquinolines | |
| probenecid | [no description available] | medium | 1 | 0 | benzoic acids;
sulfonamide | uricosuric drug |
| probucol | [no description available] | medium | 1 | 0 | dithioketal;
polyphenol | anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug |
| promazine | [no description available] | medium | 1 | 0 | phenothiazines;
tertiary amine | antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist |
| promethazine | [no description available] | medium | 1 | 0 | phenothiazines;
tertiary amine | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative |
| propranolol | [no description available] | medium | 1 | 0 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
| rimantadine | [no description available] | medium | 1 | 0 | alkylamine | |
| rolipram | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | antidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| scriptaid | [no description available] | medium | 1 | 0 | isoquinolines | |
| sebacic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | human metabolite;
plant metabolite |
| fenofibrate | [no description available] | medium | 1 | 0 | benzochromenone;
delta-lactone;
naphtho-alpha-pyrone | platelet aggregation inhibitor;
Sir2 inhibitor |
| imatinib | [no description available] | medium | 1 | 0 | aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines | antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor |
| suprofen | [no description available] | medium | 1 | 0 | aromatic ketone;
monocarboxylic acid;
thiophenes | antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| thalidomide | [no description available] | medium | 1 | 0 | phthalimides;
piperidones | |
| ticlopidine | [no description available] | medium | 1 | 0 | monochlorobenzenes;
thienopyridine | anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| triamterene | [no description available] | medium | 1 | 0 | pteridines | diuretic;
sodium channel blocker |
| trifluoperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines | antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug |
| triflupromazine | [no description available] | medium | 1 | 0 | organofluorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic |
| trigonelline | [no description available] | medium | 1 | 0 | alkaloid;
iminium betaine | food component;
human urinary metabolite;
plant metabolite |
| trimethobenzamide | [no description available] | medium | 1 | 0 | benzamides;
tertiary amino compound | antiemetic |
| trimethoprim | [no description available] | medium | 1 | 0 | aminopyrimidine;
methoxybenzenes | antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic |
| tyrphostin a9 | [no description available] | medium | 1 | 0 | alkylbenzene | geroprotector |
| delavirdine | [no description available] | medium | 1 | 0 | aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| vesnarinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
| idoxuridine | [no description available] | medium | 1 | 0 | organoiodine compound;
pyrimidine 2'-deoxyribonucleoside | antiviral drug;
DNA synthesis inhibitor |
| chloramphenicol | [no description available] | medium | 1 | 0 | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor |
| lysine | [no description available] | medium | 1 | 0 | aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid | algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| phenylethyl alcohol | [no description available] | medium | 1 | 0 | benzenes;
primary alcohol | Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| zoxazolamine | [no description available] | medium | 1 | 0 | benzoxazole | |
| ficusin | [no description available] | medium | 1 | 0 | psoralens | plant metabolite |
| trifluridine | [no description available] | medium | 1 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor |
| 9,10-anthraquinone | [no description available] | medium | 1 | 0 | anthraquinone | |
| salicylanilide | [no description available] | medium | 1 | 0 | benzanilide fungicide;
salicylamides;
salicylanilides | |
| aminacrine | [no description available] | medium | 1 | 0 | aminoacridines;
primary amino compound | acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen |
| methyl gallate | [no description available] | medium | 1 | 0 | gallate ester | anti-inflammatory agent;
antioxidant;
plant metabolite |
| monobenzone | [no description available] | medium | 1 | 0 | benzyl ether | allergen;
dermatologic drug;
melanin synthesis inhibitor |
| ditiocarb | [no description available] | medium | 1 | 0 | dithiocarbamic acids | chelator;
copper chelator |
| catechin | [no description available] | medium | 1 | 0 | catechin | antioxidant;
plant metabolite |
| azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent |
| lucanthone | [no description available] | medium | 1 | 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 |
| chrysophanic acid | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent;
antiviral agent;
plant metabolite |
| emetine | [no description available] | medium | 1 | 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 |
| flavanone | [no description available] | medium | 1 | 0 | flavanones | |
| phloretic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid | plant metabolite |
| angelicin | [no description available] | medium | 1 | 0 | furanocoumarin | |
| diperodon | [no description available] | medium | 1 | 0 | carbamate ester | |
| megestrol acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive |
| acetylcysteine | [no description available] | medium | 1 | 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 |
| hydroxychloroquine sulfate | [no description available] | medium | 1 | 0 | | |
| ethambutol | [no description available] | medium | 1 | 0 | ethanolamines;
ethylenediamine derivative | antitubercular agent;
environmental contaminant;
xenobiotic |
| metformin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | environmental contaminant;
hypoglycemic agent;
xenobiotic |
| antimycin a | [no description available] | medium | 1 | 0 | benzamides;
formamides;
macrodiolide;
phenols | antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide |
| 5,5'-dimethyl-2,2'-bipyridyl | [no description available] | medium | 1 | 0 | bipyridines | |
| dichlorobenzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols;
dichlorobenzene | antiseptic drug |
| stavudine | [no description available] | medium | 1 | 0 | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| dideoxyadenosine | [no description available] | medium | 1 | 0 | adenosines;
purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor |
| vidarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside;
purine nucleoside | antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic |
| 3-deazaadenosine | [no description available] | medium | 1 | 0 | | |
| zalcitabine | [no description available] | medium | 1 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| ancitabine | [no description available] | medium | 1 | 0 | diol;
organic heterotricyclic compound | antimetabolite;
antineoplastic agent;
prodrug |
| chloropyramine | [no description available] | medium | 1 | 0 | aminopyridine | |
| levamisole | [no description available] | medium | 1 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator |
| n'-nitrosonornicotine | [no description available] | medium | 1 | 0 | pyridines;
pyrrolidines | |
| daunorubicin | [no description available] | medium | 1 | 0 | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite |
| zidovudine | [no description available] | medium | 1 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| ribavirin | [no description available] | medium | 1 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide | anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| pyridoxal phosphate | [no description available] | medium | 1 | 0 | pyridinecarbaldehyde | |
| nitazoxanide | [no description available] | medium | 1 | 0 | benzamides;
carboxylic ester | |
| captopril | [no description available] | medium | 1 | 0 | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| oltipraz | [no description available] | medium | 1 | 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 |
| fiacitabine | [no description available] | medium | 1 | 0 | | |
| ranolazine | [no description available] | medium | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol | |
| brequinar | [no description available] | medium | 1 | 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] | medium | 1 | 0 | imidazoquinoline | antineoplastic agent;
interferon inducer |
| adefovir | [no description available] | medium | 1 | 0 | 6-aminopurines;
ether;
phosphonic acids | antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent |
| cidofovir anhydrous | [no description available] | medium | 1 | 0 | phosphonic acids;
pyrimidone | anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent |
| celgosivir | [no description available] | medium | 1 | 0 | | |
| gemcitabine | [no description available] | medium | 1 | 0 | organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic |
| lamivudine | [no description available] | medium | 1 | 0 | monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol | allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug |
| valsartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| zanamivir | [no description available] | medium | 1 | 0 | guanidines | antiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
| adefovir dipivoxil | [no description available] | medium | 1 | 0 | 6-aminopurines;
carbonate ester;
ether;
organic phosphonate | antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug |
| emtricitabine | [no description available] | medium | 1 | 0 | monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| octyl gallate | [no description available] | medium | 1 | 0 | gallate ester | food antioxidant;
hypoglycemic agent;
plant metabolite |
| efavirenz | [no description available] | medium | 1 | 0 | acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| nelfinavir | [no description available] | medium | 1 | 0 | aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound | antineoplastic agent;
HIV protease inhibitor |
| arctigenin | [no description available] | medium | 1 | 0 | lignan | |
| baicalin | [no description available] | medium | 1 | 0 | dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative | antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug |
| plerixafor | [no description available] | medium | 1 | 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 |
| amprenavir | [no description available] | medium | 1 | 0 | carbamate ester;
sulfonamide;
tetrahydrofuryl ester | antiviral drug;
HIV protease inhibitor |
| oseltamivir | [no description available] | medium | 1 | 0 | acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound | antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic |
| cephalotaxine | [no description available] | medium | 1 | 0 | benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound | |
| desipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | drug allergen |
| mefloquine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| propazole | [no description available] | medium | 1 | 0 | benzimidazoles | |
| prulifloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
quinolone antibiotic | |
| telmisartan | [no description available] | medium | 1 | 0 | benzimidazoles;
biphenyls;
carboxybiphenyl | angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic |
| zoledronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid);
imidazoles | bone density conservation agent |
| artemisinin | [no description available] | medium | 1 | 0 | organic peroxide;
sesquiterpene lactone | antimalarial;
plant metabolite |
| brinzolamide | [no description available] | medium | 1 | 0 | sulfonamide;
thienothiazine | antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| dipropylacetamide | [no description available] | medium | 1 | 0 | fatty amide | geroprotector;
metabolite;
teratogenic agent |
| oxprenolol hydrochloride | [no description available] | medium | 1 | 0 | | |
| opipramol hydrochloride | [no description available] | medium | 1 | 0 | | |
| moroxydine | [no description available] | medium | 1 | 0 | biguanides | |
| thioxolone | [no description available] | medium | 1 | 0 | benzoxathiole | antiseborrheic |
| nobiletin | [no description available] | medium | 1 | 0 | methoxyflavone | antineoplastic agent;
plant metabolite |
| lycorine | [no description available] | medium | 1 | 0 | indolizidine alkaloid | anticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor |
| leupeptin | [no description available] | medium | 1 | 0 | aldehyde;
tripeptide | bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor |
| calpeptin | [no description available] | medium | 1 | 0 | amino acid amide | |
| fangchinoline | [no description available] | medium | 1 | 0 | aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle | anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite |
| atovaquone | [no description available] | medium | 1 | 0 | hydroxy-1,2-naphthoquinone | |
| loganin | [no description available] | medium | 1 | 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 |
| moexipril | [no description available] | medium | 1 | 0 | peptide | |
| lekoptin | [no description available] | medium | 1 | 0 | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | |
| n-methyladenosine | [no description available] | medium | 1 | 0 | methyladenosine | |
| sivelestat | [no description available] | medium | 1 | 0 | N-acylglycine;
pivalate ester | |
| pyronaridine | [no description available] | medium | 1 | 0 | aminoquinoline | |
| geniposide | [no description available] | medium | 1 | 0 | terpene glycoside | |
| sophocarpine | [no description available] | medium | 1 | 0 | | |
| marimastat | [no description available] | medium | 1 | 0 | hydroxamic acid;
secondary carboxamide | antineoplastic agent;
matrix metalloproteinase inhibitor |
| elacridar | [no description available] | medium | 1 | 0 | | |
| vadimezan | [no description available] | medium | 1 | 0 | monocarboxylic acid;
xanthones | antineoplastic agent |
| umifenovir | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
| safinamide | [no description available] | medium | 1 | 0 | amino acid amide | |
| ilomastat | [no description available] | medium | 1 | 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 |
| atazanavir | [no description available] | medium | 1 | 0 | carbohydrazide | antiviral drug;
HIV protease inhibitor |
| vx 497 | [no description available] | medium | 1 | 0 | | |
| bcx 1812 | [no description available] | medium | 1 | 0 | 3-hydroxy monocarboxylic acid;
acetamides;
cyclopentanols;
guanidines | antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
| naproxen | [no description available] | medium | 1 | 0 | methoxynaphthalene;
monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| olmesartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent |
| telbivudine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| celastrol methyl ester | [no description available] | medium | 1 | 0 | carboxylic ester | |
| resiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | |
| anacardic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid;
hydroxybenzoic acid | anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite |
| migalastat | [no description available] | medium | 1 | 0 | piperidines | |
| erlotinib | [no description available] | medium | 1 | 0 | aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound | antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor |
| scutellarin | [no description available] | medium | 1 | 0 | glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antineoplastic agent;
proteasome inhibitor |
| etravirine | [no description available] | medium | 1 | 0 | aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound | antiviral agent;
HIV-1 reverse transcriptase inhibitor |
| 4-n-butylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
| darunavir | [no description available] | medium | 1 | 0 | carbamate ester;
furofuran;
sulfonamide | antiviral drug;
HIV protease inhibitor |
| dapivirine | [no description available] | medium | 1 | 0 | | |
| nsc 74859 | [no description available] | medium | 1 | 0 | amidobenzoic acid;
monohydroxybenzoic acid;
tosylate ester | STAT3 inhibitor |
| berbamine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
| u-104 | [no description available] | medium | 1 | 0 | | |
| 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | glycoside | |
| bortezomib | [no description available] | medium | 1 | 0 | amino acid amide;
L-phenylalanine derivative;
pyrazines | antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor |
| ritonavir | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic |
| tizoxanide | [no description available] | medium | 1 | 0 | salicylamides | |
| saquinavir | [no description available] | medium | 1 | 0 | L-asparagine derivative;
quinolines | antiviral drug;
HIV protease inhibitor |
| abacavir | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor |
| linezolid | [no description available] | medium | 1 | 0 | acetamides;
morpholines;
organofluorine compound;
oxazolidinone | antibacterial drug;
protein synthesis inhibitor |
| cephaelin | [no description available] | medium | 1 | 0 | pyridoisoquinoline | |
| (-)-usnic acid | [no description available] | medium | 1 | 0 | usnic acid | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
| acetylleucyl-leucyl-norleucinal | [no description available] | medium | 1 | 0 | aldehyde;
tripeptide | cysteine protease inhibitor |
| tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite;
immunosuppressive agent |
| lycopene | [no description available] | medium | 1 | 0 | acyclic carotene | antioxidant;
plant metabolite |
| zithromax | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
xenobiotic |
| roflumilast | [no description available] | medium | 1 | 0 | aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound | anti-asthmatic drug;
phosphodiesterase IV inhibitor |
| h 89 | [no description available] | medium | 2 | 0 | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
| bevirimat | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid | HIV-1 maturation inhibitor;
metabolite |
| benzyloxycarbonylleucyl-leucyl-leucine aldehyde | [no description available] | medium | 1 | 0 | amino aldehyde;
carbamate ester;
tripeptide | proteasome inhibitor |
| tenofovir | [no description available] | medium | 1 | 0 | nucleoside analogue;
phosphonic acids | antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor |
| posaconazole | [no description available] | medium | 1 | 0 | aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles | trypanocidal drug |
| gw 257406x | [no description available] | medium | 1 | 0 | | |
| 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide | [no description available] | medium | 1 | 0 | tropane alkaloid | |
| cmx 001 | [no description available] | medium | 1 | 0 | | |
| amd 8664 | [no description available] | medium | 1 | 0 | | |
| bay 41-4109 | [no description available] | medium | 1 | 0 | | |
| bay 57-1293 | [no description available] | medium | 1 | 0 | | |
| 2'-c-methylcytidine | [no description available] | medium | 1 | 0 | | |
| isoxanthohumol | [no description available] | medium | 1 | 0 | flavanones | |
| 4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide | [no description available] | medium | 1 | 0 | aromatic ether | |
| mecarbinate | [no description available] | medium | 1 | 0 | | |
| acetyl-aspartyl-glutamyl-valyl-aspartal | [no description available] | medium | 1 | 0 | tetrapeptide | protease inhibitor |
| octotropine methylbromide | [no description available] | medium | 1 | 0 | | |
| mercaptopurine | [no description available] | medium | 1 | 0 | aryl thiol;
purines;
thiocarbonyl compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| jrf 12 | [no description available] | medium | 1 | 0 | | |
| 3,4'-dihydroxyflavone | [no description available] | medium | 1 | 0 | | |
| 3-(3,4-dimethoxyphenyl)propenoic acid | [no description available] | medium | 1 | 0 | methoxycinnamic acid | |
| isoferulic acid | [no description available] | medium | 1 | 0 | ferulic acids | antioxidant;
biomarker;
metabolite |
| cyclouridine | [no description available] | medium | 1 | 0 | | |
| curcumin | [no description available] | medium | 2 | 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 |
| zucapsaicin | [no description available] | medium | 1 | 0 | methoxybenzenes;
phenols | |
| nbd 556 | [no description available] | medium | 1 | 0 | | |
| thioguanine anhydrous | [no description available] | medium | 1 | 0 | 2-aminopurines | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| 4,5,6,7-tetrachloroindan-1,3-dione | [no description available] | medium | 1 | 0 | | |
| srpin340 | [no description available] | medium | 1 | 0 | | |
| pr-619 | [no description available] | medium | 1 | 0 | | |
| p5091 | [no description available] | medium | 1 | 0 | | |
| trovirdine | [no description available] | medium | 1 | 0 | | |
| fti 277 | [no description available] | medium | 1 | 0 | | |
| u 0126 | [no description available] | medium | 1 | 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 |
| vicriviroc | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
| telaprevir | [no description available] | medium | 1 | 0 | cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines | antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic |
| dasatinib | [no description available] | medium | 1 | 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 |
| yya-021 | [no description available] | medium | 1 | 0 | | |
| sb 415286 | [no description available] | medium | 1 | 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 |
| sitagliptin | [no description available] | medium | 1 | 0 | triazolopyrazine;
trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic |
| tak-220 | [no description available] | medium | 1 | 0 | | |
| jtk-303 | [no description available] | medium | 1 | 0 | aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | HIV-1 integrase inhibitor |
| nbd 557 | [no description available] | medium | 1 | 0 | | |
| 5'-o-caffeoylquinic acid | [no description available] | medium | 1 | 0 | cinnamate ester;
cyclitol carboxylic acid | plant metabolite |
| cyclosporine | [no description available] | medium | 1 | 0 | | |
| eprosartan | [no description available] | medium | 1 | 0 | dicarboxylic acid;
imidazoles;
thiophenes | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| mycophenolate mofetil | [no description available] | medium | 1 | 0 | carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound | anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug |
| entacapone | [no description available] | medium | 1 | 0 | 2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| amentoflavone | [no description available] | medium | 1 | 0 | biflavonoid;
hydroxyflavone;
ring assembly | angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite |
| genkwanin | [no description available] | medium | 1 | 0 | dihydroxyflavone;
monomethoxyflavone | metabolite |
| hyperoside | [no description available] | medium | 1 | 0 | beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone | hepatoprotective agent;
plant metabolite |
| mangostin | [no description available] | medium | 1 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| kaempferide | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone | antihypertensive agent;
metabolite |
| orientin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone | antioxidant;
metabolite |
| scutellarein | [no description available] | medium | 1 | 0 | tetrahydroxyflavone | metabolite |
| trans-2,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 1 | 0 | stilbenoid | |
| polydatin | [no description available] | medium | 1 | 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] | medium | 1 | 0 | organooxygen compound | geroprotector;
HIV-1 integrase inhibitor |
| acteoside | [no description available] | medium | 1 | 0 | catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol | anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite |
| dorzolamide | [no description available] | medium | 1 | 0 | sulfonamide;
thiophenes | antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| topiramate | [no description available] | medium | 1 | 0 | cyclic ketal;
ketohexose derivative;
sulfamate ester | anticonvulsant;
sodium channel blocker |
| benzyloxycarbonyl-phe-ala-fluormethylketone | [no description available] | medium | 1 | 0 | | |
| n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester | [no description available] | medium | 1 | 0 | carboxylic ester;
difluorobenzene;
dipeptide;
tert-butyl ester | EC 3.4.23.46 (memapsin 2) inhibitor |
| casticin | [no description available] | medium | 1 | 0 | dihydroxyflavone;
tetramethoxyflavone | apoptosis inducer;
plant metabolite |
| (E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside;
resorcinols;
stilbenoid | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
cyclooxygenase 2 inhibitor;
platelet aggregation inhibitor |
| tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
| pd 151746 | [no description available] | medium | 1 | 0 | | |
| lisinopril | [no description available] | medium | 1 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| verteporfin | [no description available] | medium | 1 | 0 | | |
| batimastat | [no description available] | medium | 1 | 0 | hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide | angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor |
| indinavir sulfate | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide | HIV protease inhibitor |
| pepstatin | [no description available] | medium | 1 | 0 | pentapeptide;
secondary carboxamide | bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor |
| l 685458 | [no description available] | medium | 1 | 0 | carbamate ester;
monocarboxylic acid amide;
peptide;
secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor;
peptidomimetic |
| bms 806 | [no description available] | medium | 1 | 0 | | |
| benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone | [no description available] | medium | 1 | 0 | | |
| tulobuterol hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| salubrinal | [no description available] | medium | 1 | 0 | aminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas | |
| germacrone | [no description available] | medium | 1 | 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 |
| (2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid | [no description available] | medium | 1 | 0 | | |
| lithospermic acid | [no description available] | medium | 1 | 0 | | |
| laq824 | [no description available] | medium | 1 | 0 | | |
| ekb 569 | [no description available] | medium | 1 | 0 | aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile | protein kinase inhibitor |
| rilpivirine | [no description available] | medium | 1 | 0 | aminopyrimidine;
nitrile | EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor |
| 4,5-di-O-caffeoylquinic acid | [no description available] | medium | 1 | 0 | quinic acid | |
| indigo carmine | [no description available] | medium | 1 | 0 | | |
| vildagliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
| belinostat | [no description available] | medium | 1 | 0 | hydroxamic acid;
olefinic compound;
sulfonamide | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| hdac-42 | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
| chlorhexidine | [no description available] | medium | 1 | 0 | biguanides;
monochlorobenzenes | antibacterial agent;
antiinfective agent |
| gs-7340 | [no description available] | medium | 1 | 0 | 6-aminopurines;
ether;
isopropyl ester;
L-alanine derivative;
phosphoramidate ester | antiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug |
| iniparib | [no description available] | medium | 1 | 0 | carbonyl compound;
organohalogen compound | |
| n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide | [no description available] | medium | 1 | 0 | | |
| pri-2205 | [no description available] | medium | 1 | 0 | | |
| mk 0752 | [no description available] | medium | 1 | 0 | | |
| givinostat | [no description available] | medium | 1 | 0 | carbamate ester | |
| pd 144418 | [no description available] | medium | 1 | 0 | | |
| bicyclol | [no description available] | medium | 1 | 0 | | |
| midostaurin | [no description available] | medium | 1 | 0 | benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
| ly 450139 | [no description available] | medium | 1 | 0 | peptide | |
| mocetinostat | [no description available] | medium | 2 | 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 |
| rivaroxaban | [no description available] | medium | 1 | 0 | aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| sb 3ct compound | [no description available] | medium | 1 | 0 | aromatic ether | |
| ginsenoside rb1 | [no description available] | medium | 1 | 0 | ginsenoside;
glycoside;
tetracyclic triterpenoid | anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger |
| rucaparib | [no description available] | medium | 1 | 0 | azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound | antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| 6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)- | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
| cetilistat | [no description available] | medium | 1 | 0 | benzoxazine | |
| ym 201636 | [no description available] | medium | 1 | 0 | aromatic amide | |
| linagliptin | [no description available] | medium | 1 | 0 | aminopiperidine;
quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent |
| azd 6244 | [no description available] | medium | 1 | 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 |
| odanacatib | [no description available] | medium | 1 | 0 | | |
| apilimod | [no description available] | medium | 1 | 0 | | |
| apixaban | [no description available] | medium | 1 | 0 | aromatic ether;
lactam;
piperidones;
pyrazolopyridine | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| betrixaban | [no description available] | medium | 1 | 0 | benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| edoxaban | [no description available] | medium | 1 | 0 | chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor |
| saracatinib | [no description available] | medium | 1 | 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 |
| n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide | [no description available] | medium | 1 | 0 | tripeptide;
ureas | antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic |
| ly 411575 | [no description available] | medium | 1 | 0 | dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor |
| galidesivir | [no description available] | medium | 1 | 0 | | |
| PB28 | [no description available] | medium | 1 | 0 | aromatic ether;
piperazines;
tetralins | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist |
| degrasyn | [no description available] | medium | 1 | 0 | | |
| epoxomicin | [no description available] | medium | 1 | 0 | morpholines;
tripeptide | proteasome inhibitor |
| bms 477118 | [no description available] | medium | 1 | 0 | adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent |
| pha 680632 | [no description available] | medium | 1 | 0 | | |
| tmc 353121 | [no description available] | medium | 1 | 0 | | |
| amd 070 | [no description available] | medium | 1 | 0 | aminoquinoline | |
| danoprevir | [no description available] | medium | 1 | 0 | | |
| bms-626529 | [no description available] | medium | 1 | 0 | | |
| bms-663068 | [no description available] | medium | 1 | 0 | | |
| amenamevir | [no description available] | medium | 1 | 0 | | |
| vx 765 | [no description available] | medium | 1 | 0 | dipeptide | |
| alogliptin | [no description available] | medium | 1 | 0 | nitrile;
piperidines;
primary amino compound;
pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent |
| fr 180204 | [no description available] | medium | 1 | 0 | pyrazoles;
ring assembly | |
| quisinostat | [no description available] | medium | 1 | 0 | indoles | |
| carfilzomib | [no description available] | medium | 1 | 0 | epoxide;
morpholines;
tetrapeptide | antineoplastic agent;
proteasome inhibitor |
| hcv 796 | [no description available] | medium | 1 | 0 | | |
| resminostat | [no description available] | medium | 1 | 0 | | |
| zk 756326 | [no description available] | medium | 1 | 0 | aromatic ether | |
| balapiravir | [no description available] | medium | 1 | 0 | | |
| trametinib | [no description available] | medium | 1 | 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 |
| deoxyarbutin | [no description available] | medium | 1 | 0 | | |
| abexinostat | [no description available] | medium | 1 | 0 | benzofurans | |
| silvestrol | [no description available] | medium | 1 | 0 | dioxanes;
ether;
methyl ester;
organic heterotricyclic compound | antineoplastic agent;
metabolite |
| narlaprevir | [no description available] | medium | 1 | 0 | azabicyclohexane;
cyclopropanes;
pyrrolidinecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide;
ureas | anticoronaviral agent;
antiviral drug;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
hepatitis C protease inhibitor |
| teneligliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
| dextrothyroxine | [no description available] | medium | 2 | 0 | | |
| veliparib | [no description available] | medium | 1 | 0 | benzimidazoles | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| pf 03491390 | [no description available] | medium | 1 | 0 | | |
| alloin | [no description available] | medium | 1 | 0 | anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols | laxative;
metabolite |
| mdv 3100 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound | androgen antagonist;
antineoplastic agent |
| bms-650032 | [no description available] | medium | 1 | 0 | oligopeptide | |
| rg 7128 | [no description available] | medium | 1 | 0 | | |
| oritavancin | [no description available] | medium | 1 | 0 | disaccharide derivative;
glycopeptide;
semisynthetic derivative | antibacterial drug;
antimicrobial agent |
| pevonedistat | [no description available] | medium | 1 | 0 | cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate | antineoplastic agent;
apoptosis inducer |
| uk 453,061 | [no description available] | medium | 1 | 0 | aromatic ether | |
| N-(2-aminophenyl)-2-pyrazinecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
| tegobuvir | [no description available] | medium | 1 | 0 | | |
| pf-429242 | [no description available] | medium | 1 | 0 | | |
| olaparib | [no description available] | medium | 1 | 0 | cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines | antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| cx 4945 | [no description available] | medium | 1 | 0 | | |
| pci 34051 | [no description available] | medium | 1 | 0 | indolecarboxamide | |
| lomibuvir | [no description available] | medium | 1 | 0 | thiophenecarboxylic acid | |
| delanzomib | [no description available] | medium | 1 | 0 | C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative | antineoplastic agent;
apoptosis inducer;
proteasome inhibitor |
| pitavastatin(1-) | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid anion | |
| GRL-0617 | [no description available] | medium | 1 | 0 | benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline | anticoronaviral agent;
protease inhibitor |
| N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester | [no description available] | medium | 1 | 0 | carbamate ester | |
| niraparib | [no description available] | medium | 1 | 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 |
| jzl 184 | [no description available] | medium | 1 | 0 | benzodioxoles | |
| gsk 650394 | [no description available] | medium | 1 | 0 | phenylpyridine | |
| oprozomib | [no description available] | medium | 1 | 0 | | |
| az 960 | [no description available] | medium | 1 | 0 | | |
| golgicide a | [no description available] | medium | 1 | 0 | diastereoisomeric mixture | cis-Golgi ArfGEF GBF inhibitor |
| cobicistat | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas | P450 inhibitor |
| bms-790052 | [no description available] | medium | 1 | 0 | biphenyls;
carbamate ester;
carboxamide;
imidazoles;
valine derivative | antiviral drug;
nonstructural protein 5A inhibitor |
| ixazomib | [no description available] | medium | 1 | 0 | benzamides;
boronic acids;
dichlorobenzene;
glycine derivative | antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor |
| ucph 101 | [no description available] | medium | 1 | 0 | | |
| 5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 1 | 0 | aryl sulfide;
thienopyrimidine | |
| baricitinib | [no description available] | medium | 1 | 0 | azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide | anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent |
| KOM70144 | [no description available] | medium | 1 | 0 | acetamides;
benzamides;
naphthalenes;
secondary carboxamide | anticoronaviral agent;
protease inhibitor |
| e-52862 | [no description available] | medium | 1 | 0 | | |
| ly2811376 | [no description available] | medium | 1 | 0 | | |
| anagliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
| gardiquimod | [no description available] | medium | 1 | 0 | | |
| grazoprevir | [no description available] | medium | 1 | 0 | aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative | antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent |
| abt-450 | [no description available] | medium | 1 | 0 | | |
| letermovir | [no description available] | medium | 1 | 0 | | |
| sofosbuvir | [no description available] | medium | 1 | 0 | isopropyl ester;
L-alanyl ester;
nucleotide conjugate;
organofluorine compound;
phosphoramidate ester | antiviral drug;
hepatitis C protease inhibitor;
prodrug |
| 5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine | [no description available] | medium | 1 | 0 | benzoxazole | |
| blz 945 | [no description available] | medium | 1 | 0 | | |
| azd3839 | [no description available] | medium | 1 | 0 | | |
| pf 3084014 | [no description available] | medium | 1 | 0 | | |
| unc 0638 | [no description available] | medium | 1 | 0 | quinazolines | |
| gs-9620 | [no description available] | medium | 1 | 0 | | |
| n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide | [no description available] | medium | 1 | 0 | | |
| bms 708163 | [no description available] | medium | 1 | 0 | oxadiazole;
ring assembly | |
| jq1 compound | [no description available] | medium | 1 | 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 |
| 1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone | [no description available] | medium | 1 | 0 | | |
| gsk525762a | [no description available] | medium | 1 | 0 | benzodiazepine | |
| ML240 | [no description available] | medium | 1 | 0 | aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound | antineoplastic agent |
| birinapant | [no description available] | medium | 1 | 0 | dipeptide | |
| ly2886721 | [no description available] | medium | 1 | 0 | | |
| nms-p118 | [no description available] | medium | 1 | 0 | | |
| tubastatin a | [no description available] | medium | 1 | 0 | hydroxamic acid;
pyridoindole;
tertiary amino compound | EC 3.5.1.98 (histone deacetylase) inhibitor |
| pracinostat | [no description available] | medium | 1 | 0 | benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound | antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| spautin-1 | [no description available] | medium | 1 | 0 | | |
| ldn 57444 | [no description available] | medium | 1 | 0 | | |
| gsk1210151a | [no description available] | medium | 1 | 0 | imidazoquinoline | |
| i-bet726 | [no description available] | medium | 1 | 0 | | |
| acy-1215 | [no description available] | medium | 1 | 0 | pyrimidinecarboxylic acid | |
| cudc-907 | [no description available] | medium | 1 | 0 | | |
| mobic | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| tipranavir | [no description available] | medium | 1 | 0 | sulfonamide | antiviral drug;
HIV protease inhibitor |
| tasquinimod | [no description available] | medium | 1 | 0 | | |
| gsk1265744 | [no description available] | medium | 1 | 0 | difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide | HIV-1 integrase inhibitor |
| abt-267 | [no description available] | medium | 1 | 0 | aromatic amide;
carbamate ester;
dipeptide;
pyrrolidines | antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor |
| abt-333 | [no description available] | medium | 1 | 0 | aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide | antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor |
| rgfp966 | [no description available] | medium | 1 | 0 | | |
| rg2833 | [no description available] | medium | 1 | 0 | | |
| pi-1840 | [no description available] | medium | 1 | 0 | | |
| acy-738 | [no description available] | medium | 1 | 0 | | |
| pelabresib | [no description available] | medium | 1 | 0 | monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide | antineoplastic agent;
bromodomain-containing protein 4 inhibitor |
| gs-5806 | [no description available] | medium | 1 | 0 | | |
| doravirine | [no description available] | medium | 1 | 0 | | |
| gn6958 | [no description available] | medium | 1 | 0 | | |
| vx-787 | [no description available] | medium | 1 | 0 | | |
| ledipasvir | [no description available] | medium | 1 | 0 | azaspiro compound;
benzimidazole;
bridged compound;
carbamate ester;
carboxamide;
fluorenes;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organofluorine compound | antiviral drug;
hepatitis C protease inhibitor |
| gs-5816 | [no description available] | medium | 1 | 0 | carbamate ester;
ether;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heteropentacyclic compound;
ring assembly | antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor |
| g007-lk | [no description available] | medium | 1 | 0 | | |
| 4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide | [no description available] | medium | 1 | 0 | | |
| selinexor | [no description available] | medium | 1 | 0 | | |
| verdinexor | [no description available] | medium | 1 | 0 | | |
| cb-839 | [no description available] | medium | 1 | 0 | | |
| mk-8742 | [no description available] | medium | 1 | 0 | carbamate ester;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heterotetracyclic compound;
ring assembly | antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor;
hepatoprotective agent |
| atglistatin | [no description available] | medium | 1 | 0 | | |
| xen445 | [no description available] | medium | 1 | 0 | | |
| santacruzamate a | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| ldc4297 | [no description available] | medium | 1 | 0 | aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound | antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| enasidenib | [no description available] | medium | 1 | 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 |
| s 8932 | [no description available] | medium | 1 | 0 | aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine | anticoronaviral agent;
antiviral drug;
prodrug |
| entecavir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol | antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| acyclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| nu 1025 | [no description available] | medium | 1 | 0 | phenols;
quinazolines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| didanosine | [no description available] | medium | 1 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor |
| ganciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antiinfective agent;
antiviral drug |
| valacyclovir | [no description available] | medium | 1 | 0 | L-valyl ester | antiviral drug |
| penciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
propane-1,3-diols | antiviral drug |
| 4-hydroxyquinazoline | [no description available] | medium | 1 | 0 | quinazolines | |
| tegaserod | [no description available] | medium | 1 | 0 | carboxamidine;
guanidines;
hydrazines;
indoles | gastrointestinal drug;
serotonergic agonist |
| norclozapine | [no description available] | medium | 1 | 0 | dibenzodiazepine;
organochlorine compound;
piperazines | delta-opioid receptor agonist;
metabolite;
serotonergic antagonist |
| pemetrexed | [no description available] | medium | 1 | 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 |
| aprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles | antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist |
| azilsartan | [no description available] | medium | 1 | 0 | 1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent |
| hesperadin | [no description available] | medium | 1 | 0 | | |
| 6-bromoindirubin-3'-acetoxime | [no description available] | medium | 1 | 0 | | |
| n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide | [no description available] | medium | 1 | 0 | catechols;
hydrazide;
hydrazone;
naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor |
| XL413 | [no description available] | medium | 1 | 0 | benzofuropyrimidine;
organochlorine compound;
pyrrolidines | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| me0328 | [no description available] | medium | 1 | 0 | | |
| nvp-tnks656 | [no description available] | medium | 1 | 0 | | |
| glycine | [no description available] | medium | 1 | 0 | alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical |
| tryptophan | [no description available] | medium | 5 | 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 |
| angiotensin ii | [no description available] | medium | 1 | 0 | amino acid zwitterion;
angiotensin II | human metabolite |
| transforming growth factor beta | [no description available] | medium | 2 | 0 | | |
| hordenine | [no description available] | medium | 7 | 0 | phenethylamine alkaloid | human metabolite;
mouse metabolite |
| triazoles | [no description available] | medium | 1 | 0 | 1,2,3-triazole | |
| 9,10-dimethyl-1,2-benzanthracene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene;
tetraphenes | carcinogenic agent |
| cyclin d1 | [no description available] | medium | 1 | 0 | | |
| skatole | [no description available] | medium | 1 | 0 | methylindole | human metabolite;
mammalian metabolite |
| warfarin | [no description available] | medium | 1 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| piperidines | [no description available] | medium | 1 | 0 | | |
| okadaic acid | [no description available] | medium | 1 | 0 | ketal | |
| phosphatidylcholines | [no description available] | medium | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
| 1-palmitoyl-2-linoleoylphosphatidylcholine | [no description available] | medium | 1 | 0 | | |
| tryprostatin b | [no description available] | medium | 1 | 0 | dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine | |
| tannins | [no description available] | medium | 2 | 1 | | |
| pheophytin a | [no description available] | medium | 1 | 0 | | |
| chlorophyll a | [no description available] | medium | 2 | 0 | chlorophyll;
methyl ester | cofactor |
| chlorophyll | [no description available] | medium | 1 | 0 | | |
| catechol | [no description available] | medium | 1 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
| ornithine | [no description available] | medium | 2 | 0 | non-proteinogenic L-alpha-amino acid;
ornithine | algal metabolite;
hepatoprotective agent;
mouse metabolite |
| cholestanol | [no description available] | medium | 1 | 0 | cholestanoid | |
| clay | [no description available] | medium | 1 | 0 | | |
| ruthenium | [no description available] | medium | 1 | 0 | iron group element atom;
platinum group metal atom | |
| propionic acid | [no description available] | medium | 1 | 0 | saturated fatty acid;
short-chain fatty acid | antifungal drug |
| acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
| butyric acid | [no description available] | medium | 1 | 0 | fatty acid 4:0;
straight-chain saturated fatty acid | human urinary metabolite;
Mycoplasma genitalium metabolite |
| methane | [no description available] | medium | 2 | 0 | alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound | bacterial metabolite;
fossil fuel;
greenhouse gas |
| 4-vinylbenzoic acid | [no description available] | medium | 1 | 0 | | |
| evodiamine | [no description available] | medium | 1 | 0 | beta-carbolines | |
| 2-hydroxy-4-methoxybenzaldehyde | [no description available] | medium | 1 | 0 | methoxybenzenes;
phenols | |
| malondialdehyde | [no description available] | medium | 2 | 0 | dialdehyde | biomarker |
| quinazolines | [no description available] | medium | 1 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines | |
| anthranilic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | human metabolite;
mouse metabolite |
| phenyl acetate | [no description available] | medium | 2 | 0 | benzenes;
phenyl acetates | |
| nitroacetic acid | [no description available] | medium | 1 | 0 | | |
| abscisic acid | [no description available] | medium | 1 | 0 | 2-trans-abscisic acid | |
| methyl jasmonate | [no description available] | medium | 1 | 0 | | |
| cyclopentane | [no description available] | medium | 1 | 0 | cycloalkane;
cyclopentanes;
volatile organic compound | non-polar solvent |
| streptothricins | [no description available] | medium | 1 | 0 | | |
| phosphinothricin | [no description available] | medium | 1 | 0 | organic anion | |
| hygromycin b | [no description available] | medium | 1 | 0 | | |
| phleomycins | [no description available] | medium | 1 | 0 | | |
| beta-escin | [no description available] | medium | 1 | 1 | | |
| vinyl bromide | [no description available] | medium | 1 | 0 | bromoalkene;
monohaloethene | |
| palladium | [no description available] | medium | 1 | 0 | metal allergen;
nickel group element atom;
platinum group metal atom | |
| trifluoromethanesulfonic acid | [no description available] | medium | 1 | 0 | one-carbon compound;
perfluoroalkanesulfonic acid | |
| tricalcium phosphate | [no description available] | medium | 1 | 0 | calcium phosphate | |
| indole | [no description available] | medium | 4 | 0 | indole;
polycyclic heteroarene | Escherichia coli metabolite |
| thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
| benzothiophene | [no description available] | medium | 1 | 0 | 1-benzothiophenes;
benzothiophene | |
| paraherquamide | [no description available] | medium | 1 | 0 | | |
| hydroxyproline | [no description available] | medium | 1 | 0 | 4-hydroxyproline;
L-alpha-amino acid zwitterion | human metabolite;
mouse metabolite;
plant metabolite |
| pityriacitrin | [no description available] | medium | 1 | 0 | | |
| ketanserin | [no description available] | medium | 1 | 0 | aromatic ketone;
organofluorine compound;
piperidines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist |
| 2,4-dihydroxy-1,4-benzoxazin-3-one | [no description available] | medium | 1 | 0 | benzoxazine;
cyclic hydroxamic acid;
lactol | allelochemical;
herbicide;
phytotoxin;
plant metabolite |
| pilocarpine | [no description available] | medium | 1 | 0 | pilocarpine | antiglaucoma drug |
| iridium | [no description available] | medium | 1 | 0 | cobalt group element atom;
platinum group metal atom | |
| rhodium | [no description available] | medium | 1 | 0 | cobalt group element atom | |
| diiodotyrosine | [no description available] | medium | 2 | 0 | diiodotyrosine;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | human metabolite;
mouse metabolite |
| dimethylnitrosamine | [no description available] | medium | 2 | 0 | nitrosamine | geroprotector;
mutagen |
| dimethylamine | [no description available] | medium | 1 | 0 | methylamines;
secondary aliphatic amine | metabolite |
| trimethylamine | [no description available] | medium | 1 | 0 | methylamines;
tertiary amine | Escherichia coli metabolite;
human xenobiotic metabolite |
| sodium fluoride | [no description available] | medium | 1 | 0 | fluoride salt | mutagen |
| n-methylaspartate | [no description available] | medium | 1 | 0 | amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound | neurotransmitter agent |
| mephenesin | [no description available] | medium | 1 | 0 | aromatic ether;
glycerol ether | |
| 2-amino-5-phosphonovalerate | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | NMDA receptor antagonist |
| kynurenic acid | [no description available] | medium | 1 | 0 | monohydroxyquinoline;
quinolinemonocarboxylic acid | G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite |
| 7-chlorokynurenic acid | [no description available] | medium | 1 | 0 | organochlorine compound;
quinolinemonocarboxylic acid | neuroprotective agent;
NMDA receptor antagonist |
| methysergide | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
| lidocaine | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| aspartic acid | [no description available] | medium | 1 | 0 | aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
mouse metabolite;
neurotransmitter |
| n,n-dimethyltryptamine | [no description available] | medium | 1 | 0 | tryptamine alkaloid;
tryptamines | |
| cocaine | [no description available] | high | 1 | 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 |
| ryanodine | [no description available] | medium | 1 | 0 | | |
| caffeine | [no description available] | medium | 2 | 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 |
| fullerene c60 | [no description available] | medium | 1 | 0 | fullerene | geroprotector |
| tazettine | [no description available] | medium | 1 | 0 | indole alkaloid fundamental parent;
indole alkaloid | |
| 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 |
| bay-k-8644 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester | |
| 1,3-diamino-2-propanol | [no description available] | medium | 1 | 0 | | |
| trimethylenediamine | [no description available] | medium | 1 | 0 | alkane-alpha,omega-diamine | human metabolite;
mouse metabolite;
reagent |
| muscimol | [no description available] | medium | 1 | 0 | alkaloid;
isoxazoles;
primary amino compound | fungal metabolite;
GABA agonist;
oneirogen;
psychotropic drug |
| guanosine triphosphate | [no description available] | medium | 1 | 0 | guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor |
| adenosine diphosphate ribose | [no description available] | medium | 1 | 0 | ADP-sugar | Escherichia coli metabolite;
mouse metabolite |
| guanylyl imidodiphosphate | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
| sodium nitrite | [no description available] | medium | 2 | 0 | inorganic sodium salt;
nitrite salt | antidote to cyanide poisoning;
antihypertensive agent;
antimicrobial food preservative;
food antioxidant;
poison |
| indole-3-carboxylic acid | [no description available] | medium | 1 | 0 | indol-3-yl carboxylic acid | bacterial metabolite;
human metabolite |
| nitrites | [no description available] | medium | 1 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | 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 |
| 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 |
| 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 |
| 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 |
| 4-methylumbelliferyl acetate | [no description available] | low | 0 | 0 | acetate ester;
coumarins | plant metabolite |
| indoleacetamide | [no description available] | low | 0 | 0 | indoles;
monocarboxylic acid amide;
N-acylammonia | bacterial metabolite;
fungal metabolite;
plant metabolite |
| caprylic aldehyde | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde | plant metabolite |
| n(1)-methylnicotinamide | [no description available] | low | 0 | 0 | pyridinium ion | algal metabolite;
anti-inflammatory agent;
human urinary metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| guaiacol | [no description available] | low | 0 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite |
| 1-aminocyclopropane-1-carboxylic acid | [no description available] | low | 0 | 0 | amino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid | ethylene releasers;
plant metabolite |
| 3,4-dihydrocoumarin | [no description available] | low | 0 | 0 | chromanone | plant metabolite |
| homogentisic acid | [no description available] | low | 0 | 0 | dihydroxyphenylacetic acid;
hydroquinones | human metabolite;
plant metabolite |
| indol-3-yl pyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid;
indol-3-yl carboxylic acid | plant metabolite;
Saccharomyces cerevisiae metabolite |
| melilotic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite |
| racemethionine | [no description available] | low | 0 | 0 | alpha-amino acid;
amino acid zwitterion;
sulfur-containing amino acid | algal metabolite;
Daphnia magna metabolite;
Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| n-methylphenylethanolamine | [no description available] | low | 0 | 0 | alkaloid;
phenylethanolamines | human metabolite;
plant metabolite |
| naphthalene | [no description available] | low | 0 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
| niacin | [no description available] | low | 0 | 0 | pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3 | antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
| 1-octanol | [no description available] | low | 0 | 0 | octanol;
primary alcohol | antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite |
| oxalic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | algal metabolite;
human metabolite;
plant metabolite |
| 4-aminobenzoic acid | [no description available] | low | 0 | 0 | aminobenzoic acid;
aromatic amino-acid zwitterion | allergen;
Escherichia coli metabolite;
plant metabolite |
| palmitic acid | [no description available] | low | 0 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite |
| phenylacetic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid;
phenylacetic acids | allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin |
| prephenic acid | [no description available] | low | 0 | 0 | oxo dicarboxylic acid | Escherichia coli metabolite;
plant metabolite |
| pyridoxamine | [no description available] | low | 0 | 0 | aminoalkylpyridine;
hydroxymethylpyridine;
monohydroxypyridine;
vitamin B6 | Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| pyrogallol | [no description available] | low | 0 | 0 | benzenetriol;
phenolic donor | plant metabolite |
| 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] | medium | 0 | 0 | aromatic ether;
tertiary amino compound;
tryptamine alkaloid | hallucinogen;
plant metabolite |
| anabasine | [no description available] | low | 0 | 0 | piperidine alkaloid;
pyridine alkaloid | nicotinic acetylcholine receptor agonist;
plant metabolite;
teratogenic agent |
| acetovanillone | [no description available] | low | 0 | 0 | acetophenones;
aromatic ketone;
methyl ketone | antirheumatic drug;
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite |
| 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 |
| beta-glycerophosphoric acid | [no description available] | low | 0 | 0 | glycerol monophosphate | Escherichia coli metabolite;
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 |
| guvacine | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine | GABA reuptake inhibitor;
plant metabolite |
| indolepropionic acid | [no description available] | low | 0 | 0 | indol-3-yl carboxylic acid | auxin;
human metabolite;
plant metabolite |
| 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 |
| 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 |
| 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 |
| triacetin | [no description available] | low | 0 | 0 | triglyceride | adjuvant;
antifungal drug;
food additive carrier;
food emulsifier;
food humectant;
fuel additive;
plant metabolite;
solvent |
| undecylenic acid | [no description available] | low | 0 | 0 | undecenoic acid | antifungal drug;
plant metabolite |
| dipropylenetriame | [no description available] | low | 0 | 0 | polyazaalkane | algal metabolite;
plant metabolite |
| vincristine | [no description available] | medium | 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 |
| 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 |
| asparagine | [no description available] | low | 0 | 0 | amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| n-pentanol | [no description available] | low | 0 | 0 | pentanol;
short-chain primary fatty alcohol | human metabolite;
plant metabolite |
| threonine | [no description available] | low | 0 | 0 | amino acid zwitterion;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
threonine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| alizarin | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | chromophore;
dye;
plant metabolite |
| isoleucine | [no description available] | low | 0 | 0 | aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| ethane | [no description available] | low | 0 | 0 | alkane;
gas molecular entity | plant metabolite;
refrigerant |
| isophorone | [no description available] | low | 0 | 0 | cyclic ketone;
enone | plant metabolite;
solvent |
| 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 |
| purpurin | [no description available] | low | 0 | 0 | trihydroxyanthraquinone | biological pigment;
histological dye;
plant metabolite |
| 2,6-dihydroxyanthraquinone | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | antimutagen;
plant metabolite |
| methyl n-methylanthranilate | [no description available] | low | 0 | 0 | benzoate ester;
methyl ester;
secondary amino compound;
substituted aniline | animal metabolite;
fungal metabolite;
plant metabolite |
| 2-furoic acid | [no description available] | low | 0 | 0 | furoic acid | bacterial xenobiotic metabolite;
human xenobiotic metabolite;
inhibitor;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| piperitone | [no description available] | low | 0 | 0 | cyclic terpene ketone;
p-menthane monoterpenoid | plant metabolite;
volatile oil component |
| resacetophenone | [no description available] | low | 0 | 0 | dihydroxyacetophenone;
resorcinols | plant metabolite |
| salicylaldehyde | [no description available] | low | 0 | 0 | hydroxybenzaldehyde | nematicide;
plant metabolite |
| 1-methylnaphthalene | [no description available] | low | 0 | 0 | methylnaphthalene | carcinogenic agent;
plant metabolite |
| pseudoephedrine | [no description available] | low | 0 | 0 | phenylethanolamines;
secondary alcohol;
secondary amino compound | anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| pyrogallol 1,3-dimethyl ether | [no description available] | low | 0 | 0 | dimethoxybenzene;
phenols | plant metabolite |
| veratrole | [no description available] | low | 0 | 0 | dimethoxybenzene | plant metabolite |
| isatin | [no description available] | low | 0 | 0 | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| phenothiazine | [no description available] | low | 0 | 0 | phenothiazine | ferroptosis inhibitor;
plant metabolite;
radical scavenger |
| veratric acid | [no description available] | low | 0 | 0 | benzoic acids | allergen;
plant metabolite |
| synephrine | [no description available] | low | 0 | 0 | ethanolamines;
phenethylamine alkaloid;
phenols | alpha-adrenergic agonist;
plant metabolite |
| piperonylic acid | [no description available] | low | 0 | 0 | aromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid | antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary |
| benzothiazole | [no description available] | low | 0 | 0 | benzothiazoles | environmental contaminant;
plant metabolite;
xenobiotic |
| 2-methylbutanal | [no description available] | low | 0 | 0 | 2-methyl-branched fatty aldehyde;
methylbutanal | plant metabolite;
Saccharomyces cerevisiae metabolite;
volatile oil component |
| methylcyclopentane | [no description available] | low | 0 | 0 | cycloalkane;
volatile organic compound | human metabolite;
plant metabolite |
| phosphoribosyl pyrophosphate | [no description available] | low | 0 | 0 | 5-O-phosphono-D-ribofuranosyl diphosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite |
| 2-methylvaleric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid;
methyl-branched fatty acid;
monocarboxylic acid;
short-chain fatty acid | flavouring agent;
fragrance;
plant metabolite |
| ethyl 2-methylpropanoate | [no description available] | low | 0 | 0 | fatty acid ethyl ester | plant metabolite |
| 3-hydroxybenzoic acid | [no description available] | low | 0 | 0 | monohydroxybenzoic acid | bacterial metabolite;
plant metabolite |
| 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 |
| syringaldehyde | [no description available] | low | 0 | 0 | dimethoxybenzene;
hydroxybenzaldehyde | hypoglycemic agent;
plant metabolite |
| 2-aminothiophenol | [no description available] | low | 0 | 0 | aryl thiol;
substituted aniline | plant metabolite |
| estragole | [no description available] | low | 0 | 0 | alkenylbenzene;
monomethoxybenzene;
phenylpropanoid | carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite |
| citronellol | [no description available] | low | 0 | 0 | monoterpenoid | plant metabolite |
| ethyl acetoacetate | [no description available] | low | 0 | 0 | ethyl ester | antibacterial agent;
flavouring agent;
plant metabolite |
| 2-hydroxypyridine | [no description available] | low | 0 | 0 | monohydroxypyridine | plant metabolite |
| hexanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | human metabolite;
plant metabolite |
| n-heptane | [no description available] | low | 0 | 0 | alkane;
volatile organic compound | non-polar solvent;
plant metabolite |
| 1-nonanol | [no description available] | low | 0 | 0 | nonanol;
primary alcohol | antifungal agent;
flavouring agent;
plant metabolite;
volatile oil component |
| 2-vanillin | [no description available] | low | 0 | 0 | benzaldehydes;
guaiacols | antimutagen;
plant metabolite |
| citronellyl acetate | [no description available] | low | 0 | 0 | acetate ester;
monoterpenoid | plant metabolite |
| chrysene | [no description available] | low | 0 | 0 | ortho-fused polycyclic arene | plant metabolite |
| azulene | [no description available] | low | 0 | 0 | azulenes;
mancude carbobicyclic parent;
ortho-fused bicyclic arene | plant metabolite;
volatile oil component |
| ephedrine | [no description available] | low | 0 | 0 | phenethylamine alkaloid;
phenylethanolamines | bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| pseudoephedrine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | plant metabolite |
| galantamine | [no description available] | medium | 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] | medium | 0 | 0 | delta-lactone;
indole alkaloid;
organic heterotetracyclic compound;
tertiary amino compound | muscle relaxant;
plant metabolite |
| pinane | [no description available] | low | 0 | 0 | carbobicyclic compound;
monoterpene;
terpenoid fundamental parent | plant metabolite |
| naphthazarin | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone | acaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite |
| reticulin | [no description available] | low | 0 | 0 | benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
isoquinolinol | plant metabolite |
| indole-3-carbaldehyde | [no description available] | medium | 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 |
| citronellic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid;
monoterpenoid;
monounsaturated fatty acid | flavouring agent;
plant metabolite |
| isovaleric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid;
methylbutyric acid;
short-chain fatty acid | mammalian metabolite;
plant metabolite |
| iberin | [no description available] | low | 0 | 0 | isothiocyanate;
sulfoxide | apoptosis inducer;
plant metabolite;
quorum sensing inhibitor |
| 16-hydroxypalmitic acid | [no description available] | low | 0 | 0 | hydroxypalmitic acid;
omega-hydroxy-long-chain fatty acid | plant metabolite |
| arachidic acid | [no description available] | low | 0 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
| octacosanoic acid | [no description available] | low | 0 | 0 | straight-chain saturated fatty acid;
ultra-long-chain fatty acid | plant metabolite |
| ascaridole | [no description available] | low | 0 | 0 | organic heterobicyclic compound;
organic peroxide;
p-menthane monoterpenoid | antileishmanial agent;
antinematodal drug;
plant metabolite |
| abietic acid | [no description available] | low | 0 | 0 | abietane diterpenoid;
monocarboxylic acid | plant metabolite |
| hematoxylin | [no description available] | low | 0 | 0 | organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol | histological dye;
plant metabolite |
| pyridoxamine dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride;
vitamin B6 | Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| tryptophol | [no description available] | low | 0 | 0 | indolyl alcohol | auxin;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| hemimellitene | [no description available] | low | 0 | 0 | trimethylbenzene | neurotoxin;
plant metabolite |
| 2-methylbenzaldehyde | [no description available] | low | 0 | 0 | tolualdehyde | plant metabolite |
| syringic acid | [no description available] | low | 0 | 0 | benzoic acids;
dimethoxybenzene;
phenols | plant metabolite |
| 6-methoxybenzoxazolinone | [no description available] | low | 0 | 0 | aromatic ether;
benzoxazole | antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite |
| 1,1-dimethoxyethane | [no description available] | low | 0 | 0 | acetal;
diether | flavouring agent;
plant metabolite |
| 2-methylfuran | [no description available] | low | 0 | 0 | furans;
volatile organic compound | flavouring agent;
fuel;
hepatotoxic agent;
human urinary metabolite;
plant metabolite |
| perillyl alcohol | [no description available] | low | 0 | 0 | limonene monoterpenoid | plant metabolite;
volatile oil component |
| cumic acid | [no description available] | low | 0 | 0 | cumic acid | plant metabolite |
| tricaprylin | [no description available] | low | 0 | 0 | octanoate ester;
triglyceride | anticonvulsant;
plant metabolite |
| senecioic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
methyl-branched fatty acid;
monounsaturated fatty acid;
short-chain fatty acid | plant metabolite |
| 3-hexen-1-ol | [no description available] | low | 0 | 0 | alkenyl alcohol;
homoallylic alcohol;
primary alcohol;
volatile organic compound | plant metabolite |
| n-hexadecane | [no description available] | low | 0 | 0 | long-chain alkane | non-polar solvent;
plant metabolite;
volatile oil component |
| beta-phellandrene | [no description available] | low | 0 | 0 | phellandrene | plant metabolite |
| tristearin | [no description available] | low | 0 | 0 | triacylglycerol 54:0 | Caenorhabditis elegans metabolite;
plant metabolite |
| lignoceric acid | [no description available] | low | 0 | 0 | straight-chain saturated fatty acid;
very long-chain fatty acid | Daphnia tenebrosa metabolite;
human metabolite;
plant metabolite;
volatile oil component |
| 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 |
| d-alpha tocopherol | [no description available] | low | 0 | 0 | alpha-tocopherol | algal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite |
| selenomethionine | [no description available] | low | 0 | 0 | selenoamino acid;
selenomethionines | plant metabolite |
| 1-pentene-3-one | [no description available] | low | 0 | 0 | enone | flavouring agent;
genotoxin;
human metabolite;
plant metabolite |
| dodecyldimethylamine oxide | [no description available] | low | 0 | 0 | tertiary amine oxide | detergent;
plant metabolite |
| 2-undecanol | [no description available] | low | 0 | 0 | secondary alcohol;
undecanol | animal metabolite;
flavouring agent;
pheromone;
plant metabolite;
volatile oil component |
| digoxigenin | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
14beta-hydroxy steroid;
3beta-hydroxy steroid;
3beta-sterol | hapten;
plant metabolite |
| heliamine | [no description available] | low | 0 | 0 | aromatic ether;
diether;
isoquinoline alkaloid;
isoquinolines | plant metabolite |
| 6h-dibenzo-(b,d)-pyran-6-one | [no description available] | low | 0 | 0 | benzochromenone | plant metabolite |
| diallyl disulfide | [no description available] | low | 0 | 0 | organic disulfide | antifungal agent;
antineoplastic agent;
plant metabolite |
| glaucine | [no description available] | medium | 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 |
| 2-methoxy-1,4-naphthoquinone | [no description available] | low | 0 | 0 | 1,4-naphthoquinones;
enol ether | antimicrobial agent;
metabolite;
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 |
| 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 |
| precocene i | [no description available] | low | 0 | 0 | aromatic ether;
chromenes | plant metabolite;
precocenes |
| 1-deoxynojirimycin | [no description available] | low | 0 | 0 | 2-(hydroxymethyl)piperidine-3,4,5-triol;
piperidine alkaloid | anti-HIV agent;
anti-obesity agent;
bacterial metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
plant metabolite |
| neohesperidin dihydrochalcone | [no description available] | low | 0 | 0 | dihydrochalcones;
disaccharide derivative;
neohesperidoside | environmental contaminant;
plant metabolite;
sweetening agent;
xenobiotic |
| 4-anisaldehyde | [no description available] | low | 0 | 0 | benzaldehydes | bacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite |
| myrcene | [no description available] | low | 0 | 0 | monoterpene | anabolic agent;
anti-inflammatory agent;
flavouring agent;
fragrance;
plant metabolite;
volatile oil component |
| diacetone alcohol | [no description available] | low | 0 | 0 | beta-hydroxy ketone | plant metabolite |
| methyl tetradecanoate | [no description available] | low | 0 | 0 | fatty acid methyl ester | flavouring agent;
fragrance;
plant metabolite |
| nonanal | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde | human metabolite;
plant metabolite |
| tetradecanal | [no description available] | low | 0 | 0 | 2,3-saturated fatty aldehyde;
long-chain fatty aldehyde | bacterial metabolite;
plant metabolite |
| silybin | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone | antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite |
| oxypeucadanin, (s)-(-)-isomer | [no description available] | low | 0 | 0 | epoxide;
furanocoumarin;
lactone | plant metabolite |
| amygdalin | [no description available] | low | 0 | 0 | cyanogenic glycoside;
disaccharide derivative;
gentiobioside | plant metabolite |
| vanillyl alcohol | [no description available] | low | 0 | 0 | benzyl alcohols;
guaiacols | plant metabolite |
| benzylaminopurine | [no description available] | low | 0 | 0 | 6-aminopurines | cytokinin;
plant metabolite |
| allyl methyl disulfide | [no description available] | low | 0 | 0 | organic disulfide | plant metabolite;
volatile oil component |
| octyl glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside | plant metabolite |
| dihydrochalcone | [no description available] | low | 0 | 0 | dihydrochalcones | plant metabolite |
| calanolide a | [no description available] | low | 0 | 0 | cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol | HIV-1 reverse transcriptase inhibitor;
plant metabolite |
| aica ribonucleotide | [no description available] | low | 0 | 0 | 1-(phosphoribosyl)imidazolecarboxamide;
aminoimidazole | cardiovascular drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| 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 |
| obtusifoliol | [no description available] | low | 0 | 0 | 14alpha-methyl steroid;
3beta-sterol | mouse metabolite;
plant metabolite |
| secoisolariciresinol | [no description available] | low | 0 | 0 | secoisolariciresinol | antidepressant;
phytoestrogen;
plant metabolite |
| solanidine | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
solanid-5-en-3-ol;
steroid alkaloid fundamental parent | plant metabolite;
toxin |
| valerophenone | [no description available] | low | 0 | 0 | aromatic ketone | plant metabolite;
volatile oil component |
| 2,4,6-trihydroxyacetophenone | [no description available] | low | 0 | 0 | aromatic ketone;
benzenetriol;
methyl ketone | MALDI matrix material;
plant metabolite |
| 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 |
| 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 |
| sesamin | [no description available] | low | 0 | 0 | benzodioxoles;
furofuran;
lignan | antineoplastic agent;
neuroprotective agent;
plant metabolite |
| 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] | medium | 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] | medium | 0 | 0 | aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound | plant metabolite |
| uvaretin | [no description available] | low | 0 | 0 | aromatic ether;
dihydrochalcones;
polyketide;
resorcinol | antineoplastic agent;
plant metabolite |
| sakuranetin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavonoid phytoalexin;
monomethoxyflavanone | antimycobacterial drug;
plant metabolite |
| indole-5-carboxylic acid | [no description available] | low | 0 | 0 | indolecarboxylic acid | plant metabolite |
| 1,3,7,9-tetramethyluric acid | [no description available] | low | 0 | 0 | oxopurine;
purine alkaloid | analgesic;
anti-inflammatory agent;
human xenobiotic metabolite;
plant metabolite |
| phenylalanylleucine | [no description available] | low | 0 | 0 | dipeptide zwitterion;
dipeptide | plant metabolite |
| ethyl protocatechuate | [no description available] | low | 0 | 0 | catechols;
ethyl ester | antibacterial agent;
antioxidant;
apoptosis inducer;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
plant metabolite |
| 3,5-dimethoxytoluene | [no description available] | low | 0 | 0 | methoxybenzenes;
toluenes | fragrance;
plant metabolite |
| methylthioethanol | [no description available] | low | 0 | 0 | aliphatic sulfide;
primary alcohol | plant metabolite;
xenobiotic metabolite |
| cryptolepine | [no description available] | medium | 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 |
| 4-methyl-4-sulfanylpentan-2-one | [no description available] | low | 0 | 0 | alkanethiol;
methyl ketone | plant metabolite;
Saccharomyces cerevisiae metabolite |
| 5,7-dimethoxyflavone | [no description available] | low | 0 | 0 | dimethoxyflavone | plant metabolite |
| loganic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
cyclopentapyran;
glucoside | plant metabolite |
| cholest-4-en-3-one | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid;
cholestanoid | human metabolite;
plant metabolite |
| delta-tocopherol | [no description available] | low | 0 | 0 | tocopherol;
vitamin E | food antioxidant;
plant metabolite |
| cycloartenol | [no description available] | low | 0 | 0 | 3beta-sterol;
pentacyclic triterpenoid;
phytosterols | plant metabolite |
| 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] | medium | 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 |
| 1,9-dideoxyforskolin | [no description available] | low | 0 | 0 | acetate ester;
labdane diterpenoid;
organic heterotricyclic compound | plant metabolite |
| triptolide | [no description available] | low | 0 | 0 | diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound | antispermatogenic agent;
plant metabolite |
| indospicine | [no description available] | low | 0 | 0 | carboxamidine;
non-proteinogenic L-alpha-amino acid | hepatotoxic agent;
plant metabolite |
| nimbin | [no description available] | low | 0 | 0 | acetate ester;
cyclic terpene ketone;
enone;
furans;
limonoid;
methyl ester;
tetracyclic triterpenoid | pesticide;
plant metabolite |
| neoeriocitrin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
neohesperidoside;
trihydroxyflavanone | plant metabolite |
| 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] | medium | 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 |
| n-methylserotonin | [no description available] | low | 0 | 0 | phenols;
tryptamines | human metabolite;
plant metabolite |
| lyxonic acid | [no description available] | low | 0 | 0 | lyxonic acid | plant metabolite |
| kolaviron | [no description available] | low | 0 | 0 | 4'-methoxyflavanones;
biflavonoid;
dihydroflavonols;
ring assembly;
secondary alpha-hydroxy ketone | hepatoprotective agent;
plant metabolite |
| spinosin | [no description available] | low | 0 | 0 | dihydroxyflavone;
flavone C-glycoside;
monomethoxyflavone | anxiolytic drug;
plant metabolite |
| acrovestone | [no description available] | low | 0 | 0 | acetophenones;
aromatic ether;
olefinic compound;
polyphenol | antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
| cirsiliol | [no description available] | low | 0 | 0 | dimethoxyflavone;
trihydroxyflavone | plant metabolite |
| matteucinol | [no description available] | low | 0 | 0 | 4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone | plant metabolite;
radical scavenger |
| guvacoline | [no description available] | low | 0 | 0 | alpha,beta-unsaturated carboxylic ester;
beta-amino acid ester;
enoate ester;
methyl ester;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine | muscarinic agonist;
plant metabolite |
| corytuberine | [no description available] | medium | 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 |
| butrin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones;
flavanone glycoside;
monohydroxyflavanone | anti-inflammatory agent;
plant metabolite |
| diplopterol | [no description available] | low | 0 | 0 | hopanoid;
pentacyclic triterpenoid;
tertiary alcohol | plant metabolite |
| confertin | [no description available] | low | 0 | 0 | cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
pseudoguaianolide | anti-inflammatory agent;
metabolite;
plant metabolite |
| pluviatolide | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols | plant metabolite |
| 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 |
| sandaracopimaric acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pimarane diterpenoid;
tricyclic diterpenoid | plant metabolite |
| erythritol | [no description available] | low | 0 | 0 | butane-1,2,3,4-tetrol | antioxidant;
human metabolite;
plant metabolite |
| stigmastanol | [no description available] | low | 0 | 0 | 3-hydroxy steroid;
phytosterols | anticholesteremic drug;
plant metabolite |
| vincaleukoblastine | [no description available] | medium | 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 |
| noscapine | [no description available] | medium | 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 |
| 5-hydroxytryptophan | [no description available] | low | 0 | 0 | 5-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid | human metabolite;
mouse metabolite;
plant metabolite |
| theanine | [no description available] | low | 0 | 0 | amino acid zwitterion;
N(5)-alkyl-L-glutamine | geroprotector;
neuroprotective agent;
plant metabolite |
| scopolin | [no description available] | low | 0 | 0 | beta-D-glucoside;
coumarins;
monosaccharide derivative | plant metabolite |
| stachyose | [no description available] | low | 0 | 0 | raffinose family oligosaccharide;
tetrasaccharide | mouse metabolite;
plant metabolite |
| isomaltulose | [no description available] | low | 0 | 0 | glycosylfructose | animal metabolite;
plant metabolite;
sweetening agent |
| discretamine | [no description available] | low | 0 | 0 | berberine alkaloid;
organic heterotetracyclic compound | EC 5.99.1.2 (DNA topoisomerase) inhibitor;
plant metabolite |
| pelargonidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | plant metabolite |
| (+)-limonene | [no description available] | low | 0 | 0 | limonene | plant metabolite |
| hygrine | [no description available] | low | 0 | 0 | 1-(1-methylpyrrolidin-2-yl)acetone;
pyrrolidine alkaloid | plant metabolite |
| 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] | medium | 0 | 0 | amino-acid betaine;
indole alkaloid;
L-tryptophan derivative | fungal metabolite;
plant metabolite;
xenobiotic |
| absynthin | [no description available] | low | 0 | 0 | organic heteroheptacyclic compound;
sesquiterpene lactone;
triterpenoid | anti-inflammatory agent;
plant metabolite |
| abyssinone i | [no description available] | low | 0 | 0 | monohydroxyflavanone;
phenols | apoptosis inhibitor;
plant metabolite |
| afzelechin | [no description available] | low | 0 | 0 | catechin;
tetrahydroxyflavan | EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite |
| asebogenin | [no description available] | low | 0 | 0 | dihydrochalcones | plant metabolite |
| lactucin | [no description available] | low | 0 | 0 | azulenofuran;
cyclic terpene ketone;
enone;
primary alcohol;
secondary alcohol;
sesquiterpene lactone | antimalarial;
plant metabolite;
sedative |
| solavetivone | [no description available] | low | 0 | 0 | cyclic ketone;
sesquiterpenoid;
spiro compound | phytoalexin;
plant metabolite |
| thujopsene | [no description available] | low | 0 | 0 | thujopsene | plant metabolite |
| agnuside | [no description available] | low | 0 | 0 | benzoate ester;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
phenols;
terpene glycoside | anti-inflammatory agent;
cyclooxygenase 2 inhibitor;
plant metabolite;
pro-angiogenic agent |
| dolichodial | [no description available] | low | 0 | 0 | dialdehyde;
iridoid monoterpenoid;
olefinic compound | animal metabolite;
plant metabolite;
volatile oil component |
| theasinensin a | [no description available] | low | 0 | 0 | biflavonoid;
gallate ester;
proanthocyanidin | anti-inflammatory agent;
anticoronaviral agent;
apoptosis inducer;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
melanin synthesis inhibitor;
plant metabolite |
| 5,6,7-trimethoxyflavone | [no description available] | low | 0 | 0 | trimethoxyflavone | anti-HSV-1 agent;
plant metabolite |
| ammodendrine | [no description available] | low | 0 | 0 | acetamides;
N-acylpiperidine;
piperidine alkaloid | plant metabolite;
teratogenic agent |
| carpaine | [no description available] | low | 0 | 0 | alkaloid;
macrodiolide | cardiovascular drug;
plant metabolite |
| myosmine | [no description available] | low | 0 | 0 | pyridine alkaloid;
pyrroline | EC 1.14.14.14 (aromatase) inhibitor;
mutagen;
plant metabolite |
| dihydropinosylvin | [no description available] | low | 0 | 0 | diphenylethane;
resorcinols | EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
| 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 |
| 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 |
| benzoylecgonine | [no description available] | low | 0 | 0 | benzoate ester;
tropane alkaloid | epitope;
human xenobiotic metabolite;
marine xenobiotic metabolite;
plant metabolite |
| zeatin | [no description available] | low | 0 | 0 | zeatin | plant metabolite |
| gamma-sitosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols | marine metabolite;
plant metabolite |
| costatolide | [no description available] | low | 0 | 0 | cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol | HIV-1 reverse transcriptase inhibitor;
plant metabolite |
| euscaphic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid;
triol | plant metabolite |
| cinnamtannin b-1 | [no description available] | low | 0 | 0 | proanthocyanidin | cyclooxygenase 2 inhibitor;
plant metabolite |
| meso-dihydroguaiaretic acid | [no description available] | low | 0 | 0 | guaiacols;
lignan | plant metabolite |
| 8-prenylnaringenin | [no description available] | low | 0 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone | plant metabolite;
platelet aggregation inhibitor |
| gancaonin I | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
resorcinols | antibacterial agent;
plant metabolite |
| 6,8-diprenylgenistein | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antibacterial agent;
plant metabolite |
| glycyrin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins;
hydroxyisoflavans | antibacterial agent;
metabolite;
plant metabolite |
| glyasperin D | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | plant metabolite |
| licoricidin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | antibacterial agent;
plant metabolite |
| pallidol | [no description available] | low | 0 | 0 | carbopolycyclic compound;
polyphenol;
stilbenoid | antifungal agent;
antioxidant;
plant metabolite |
| egonol | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
benzodioxoles;
primary alcohol | plant metabolite |
| 23-hydroxytormentic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid;
tetrol | anti-inflammatory agent;
plant metabolite |
| riboflavin | [no description available] | low | 0 | 0 | flavin;
vitamin B2 | anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite |
| licocoumarone | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
resorcinols | antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| likviriton | [no description available] | low | 0 | 0 | beta-D-glucoside;
flavanone glycoside;
monohydroxyflavanone;
monosaccharide derivative | anti-inflammatory agent;
anticoronaviral agent;
plant metabolite |
| sodium benzoate | [no description available] | low | 0 | 0 | organic sodium salt | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
| 3-mercaptohexanol | [no description available] | low | 0 | 0 | alkanethiol;
primary alcohol | flavouring agent;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| 3'-methoxyflavone | [no description available] | low | 0 | 0 | 3'-methoxyflavones | plant metabolite |
| piperlactam s | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols | anti-inflammatory agent;
antioxidant;
plant metabolite |
| piperyline | [no description available] | low | 0 | 0 | benzodioxoles;
N-acylpyrrolidine;
pyrrolidine alkaloid;
tertiary carboxamide | antifungal agent;
apoptosis inducer;
plant metabolite |
| crotonic acid | [no description available] | low | 0 | 0 | 2-butenoic acid | plant metabolite |
| cinnamaldehyde | [no description available] | low | 0 | 0 | 3-phenylprop-2-enal;
cinnamaldehydes | antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent |
| methyl cinnamate | [no description available] | low | 0 | 0 | methyl cinnamate | antibacterial agent;
fungal metabolite;
nematicide;
plant metabolite |
| trans-4-coumaric acid | [no description available] | low | 0 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
| 2,4-hexadienal | [no description available] | low | 0 | 0 | hexadienal;
polyunsaturated fatty aldehyde;
volatile organic compound | flavouring agent;
plant metabolite |
| geraniol | [no description available] | low | 0 | 0 | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component |
| epipinoresinol | [no description available] | low | 0 | 0 | pinoresinol | marine metabolite;
plant metabolite |
| sinapinic acid | [no description available] | low | 0 | 0 | sinapic acid | MALDI matrix material;
plant metabolite |
| citral | [no description available] | low | 0 | 0 | enal;
monoterpenoid;
polyprenal | plant metabolite;
volatile oil component |
| squalene | [no description available] | low | 0 | 0 | triterpene | human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| coumestan | [no description available] | low | 0 | 0 | coumestans;
delta-lactone | phytoestrogen;
plant metabolite |
| 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] | medium | 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 |
| dehydrovomifoliol | [no description available] | low | 0 | 0 | dehydrovomifoliol | plant metabolite |
| isoeugenol | [no description available] | low | 0 | 0 | isoeugenol | plant metabolite |
| huperzine a | [no description available] | low | 0 | 0 | organic heterotricyclic compound;
primary amino compound;
pyridone;
sesquiterpene alkaloid | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent;
nootropic agent;
plant metabolite |
| nootkatone | [no description available] | low | 0 | 0 | carbobicyclic compound;
enone;
sesquiterpenoid | fragrance;
insect repellent;
plant metabolite |
| geranyl acetate | [no description available] | low | 0 | 0 | acetate ester;
monoterpenoid | plant metabolite |
| coniferyl alcohol | [no description available] | low | 0 | 0 | guaiacols;
phenylpropanoid | animal metabolite;
monolignol;
mouse metabolite;
pheromone;
plant metabolite;
volatile oil component |
| geranylacetone | [no description available] | low | 0 | 0 | monoterpene ketone | flavouring agent;
fragrance;
plant metabolite;
volatile oil component |
| goitrin | [no description available] | low | 0 | 0 | 5-ethenyl-1,3-oxazolidine-2-thione | antiviral agent;
plant metabolite |
| 7-deacetylgedunin | [no description available] | low | 0 | 0 | cyclic terpene ketone;
delta-lactone;
enone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid | anti-inflammatory agent;
antimalarial;
metabolite;
plant metabolite |
| 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 |
| coniferin | [no description available] | low | 0 | 0 | aromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative | plant metabolite |
| gibberellin a1 | [no description available] | low | 0 | 0 | C19-gibberellin;
gibberellin monocarboxylic acid;
lactone | plant metabolite |
| leukotriene a4 | [no description available] | low | 0 | 0 | epoxy fatty acid;
leukotriene;
long-chain fatty acid;
oxylipin;
polyunsaturated fatty acid | human metabolite;
mouse metabolite;
plant metabolite |
| sinapine | [no description available] | low | 0 | 0 | acylcholine | antioxidant;
photosynthetic electron-transport chain inhibitor;
plant metabolite |
| trans-phytol | [no description available] | low | 0 | 0 | diterpenoid;
long-chain primary fatty alcohol | algal metabolite;
plant metabolite;
schistosomicide drug |
| linoleic acid | [no description available] | low | 0 | 0 | octadecadienoic acid;
omega-6 fatty acid | algal metabolite;
Daphnia galeata metabolite;
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 |
| gossypetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | plant metabolite |
| ayanin | [no description available] | low | 0 | 0 | dihydroxyflavone;
trimethoxyflavone | plant metabolite |
| apiin | [no description available] | low | 0 | 0 | beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone | EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite |
| (all-e) phytoene | [no description available] | low | 0 | 0 | phytoene | plant metabolite |
| vitamin d 2 | [no description available] | low | 0 | 0 | hydroxy seco-steroid;
seco-ergostane;
vitamin D | bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide |
| stigmasterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols;
stigmastane sterol | plant metabolite |
| sinapaldehyde | [no description available] | low | 0 | 0 | cinnamaldehydes;
dimethoxybenzene;
phenols | antifungal agent;
plant metabolite |
| 3-methylkaempferol | [no description available] | low | 0 | 0 | monomethoxyflavone;
trihydroxyflavone | plant metabolite |
| abscisic acid | [no description available] | low | 0 | 0 | 2-cis-abscisic acid | plant hormone;
plant metabolite |
| gamma-linolenic acid | [no description available] | low | 0 | 0 | linolenic acid;
omega-6 fatty acid | human metabolite;
mouse metabolite;
plant metabolite |
| petroselinic acid | [no description available] | low | 0 | 0 | octadec-6-enoic acid | plant metabolite |
| 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 |
| 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] | medium | 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] | medium | 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 |
| apigenin dimethylether | [no description available] | low | 0 | 0 | dimethoxyflavone;
monohydroxyflavone | plant metabolite |
| axillarin | [no description available] | low | 0 | 0 | dimethoxyflavone;
tetrahydroxyflavone | plant metabolite |
| azaleatin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone | plant metabolite |
| chrysosplenetin b | [no description available] | low | 0 | 0 | dihydroxyflavone;
tetramethoxyflavone | antiviral agent;
plant metabolite |
| gossypin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol;
glycosyloxyflavone;
monosaccharide derivative;
pentahydroxyflavone | neuroprotective agent;
plant metabolite |
| hispidulin | [no description available] | low | 0 | 0 | monomethoxyflavone;
trihydroxyflavone | anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
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 |
| mangiferin | [no description available] | low | 0 | 0 | C-glycosyl compound;
xanthones | anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
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 |
| myricitrin | [no description available] | low | 0 | 0 | alpha-L-rhamnoside;
glycosyloxyflavone;
monosaccharide derivative;
pentahydroxyflavone | anti-allergic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite |
| pachypodol | [no description available] | low | 0 | 0 | dihydroxyflavone;
trimethoxyflavone | antiemetic;
plant metabolite |
| quercetagetin | [no description available] | low | 0 | 0 | flavonols;
hexahydroxyflavone | antioxidant;
antiviral agent;
plant metabolite |
| robinin | [no description available] | low | 0 | 0 | dihydroxyflavone;
glycosyloxyflavone | plant metabolite |
| santin | [no description available] | low | 0 | 0 | dihydroxyflavone;
trimethoxyflavone | plant metabolite |
| 7-hydroxy-6,4'-dimethoxyisoflavone | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | plant metabolite |
| 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 |
| 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 |
| 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 |
| 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 |
| vitamin k 1 | [no description available] | low | 0 | 0 | phylloquinones;
vitamin K | cofactor;
human metabolite;
plant metabolite |
| morphine | [no description available] | medium | 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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] | medium | 0 | 0 | acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound | antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic |
| 3-tyrosine | [no description available] | low | 0 | 0 | hydroxyphenylalanine;
L-alpha-amino acid zwitterion;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
phenols | plant metabolite |
| 3-O-feruloyl-D-quinic acid | [no description available] | low | 0 | 0 | enoate ester;
quinic acid | plant metabolite |
| ginsenoside f1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
6alpha-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid | apoptosis inhibitor;
plant metabolite |
| capsiate | [no description available] | low | 0 | 0 | carboxylic ester;
monomethoxybenzene;
phenols | angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite |
| p-coumaric acid glucoside | [no description available] | low | 0 | 0 | 4-O-beta-D-glucosyl-4-coumaric acid | plant metabolite |
| 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 |
| 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 |
| 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] | medium | 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 |
| 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 |
| 5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one | [no description available] | medium | 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] | medium | 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] | medium | 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] | medium | 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] | medium | 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] | medium | 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 |
| ascorbic acid | [no description available] | low | 0 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
| 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 |
| 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 |
| alosetron | [no description available] | low | 0 | 0 | imidazoles;
pyridoindole | antiemetic;
gastrointestinal drug;
serotonergic antagonist |
| nefazodone | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles | alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor |
| oxatomide | [no description available] | low | 0 | 0 | benzimidazoles;
diarylmethane;
N-alkylpiperazine | anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist |
| pindolol | [no description available] | low | 0 | 0 | indoles;
secondary amine | antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent |
| pipamperone | [no description available] | medium | 0 | 0 | aromatic ketone;
bipiperidines;
monocarboxylic acid amide;
organofluorine compound;
tertiary amino compound | dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| propiomazine | [no description available] | medium | 0 | 0 | aromatic ketone;
phenothiazines;
tertiary amino compound | dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist |
| quetiapine | [no description available] | low | 0 | 0 | dibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine | adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist |
| risperidone | [no description available] | low | 0 | 0 | 1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine | alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist |
| ritanserin | [no description available] | low | 0 | 0 | organofluorine compound;
piperidines;
thiazolopyrimidine | antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist |
| setiptiline | [no description available] | medium | 0 | 0 | tertiary amino compound;
tetracyclic antidepressant | alpha-adrenergic antagonist;
serotonergic antagonist |
| spiperone | [no description available] | medium | 0 | 0 | aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist |
| thiethylperazine | [no description available] | low | 0 | 0 | N-methylpiperazine;
phenothiazines | antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist |
| thioridazine | [no description available] | low | 0 | 0 | phenothiazines;
piperidines | alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| clopenthixol | [no description available] | low | 0 | 0 | N-alkylpiperazine;
primary alcohol;
thioxanthenes | alpha-adrenergic antagonist;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| pimozide | [no description available] | low | 0 | 0 | benzimidazoles;
heteroarylpiperidine;
organofluorine compound | antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| pizotyline | [no description available] | low | 0 | 0 | benzocycloheptathiophene | histamine antagonist;
muscarinic antagonist;
serotonergic antagonist |
| metergoline | [no description available] | low | 0 | 0 | carbamate ester;
ergoline alkaloid | dopamine agonist;
geroprotector;
serotonergic antagonist |
| tramadol | [no description available] | low | 0 | 0 | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol | adrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
metabolite;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor |
| dotarizine | [no description available] | low | 0 | 0 | cyclic ketal;
dioxolane;
N-alkylpiperazine | calcium channel blocker;
serotonergic antagonist;
vasodilator agent |
| sertindole | [no description available] | low | 0 | 0 | heteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole | alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist |
| alosetron hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antiemetic;
serotonergic antagonist |
| ziprasidone | [no description available] | low | 0 | 0 | 1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines | antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist |
| tramadol hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | adrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor |
| spiramide | [no description available] | medium | 0 | 0 | aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | dopaminergic antagonist;
serotonergic antagonist |
| clomipramine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug |
| mesulergine | [no description available] | low | 0 | 0 | ergot alkaloid;
sulfamides | antiparkinson drug;
dopamine agonist;
serotonergic antagonist |
| hp 873 | [no description available] | medium | 0 | 0 | 1,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound | dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist |
| methotrimeprazine | [no description available] | low | 0 | 0 | phenothiazines;
tertiary amine | anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist |
| 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 |
| 1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine | [no description available] | low | 0 | 0 | hydrobromide | serotonergic antagonist |
| gr 113808 | [no description available] | low | 0 | 0 | indolyl carboxylate ester;
piperidines;
sulfonamide | serotonergic antagonist |
| fk 1052 | [no description available] | low | 0 | 0 | imidazoles;
organic heterotricyclic compound | antiemetic;
serotonergic antagonist |
| lurasidone | [no description available] | low | 0 | 0 | 1,2-benzisothiazole;
bridged compound;
dicarboximide;
N-arylpiperazine | adrenergic antagonist;
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist |
| n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea | [no description available] | low | 0 | 0 | 1,2-thiazoles;
indoles;
ureas | receptor modulator;
serotonergic antagonist |
| sb-224289 | [no description available] | low | 0 | 0 | 1,2,4-oxadiazole;
azaspiro compound;
benzamides;
organic heterotetracyclic compound | serotonergic antagonist |
| brl 15572 | [no description available] | low | 0 | 0 | monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol | geroprotector;
serotonergic antagonist |
| LY-310762 | [no description available] | medium | 0 | 0 | aromatic ketone;
monofluorobenzenes;
oxindoles;
piperidines;
tertiary amino compound | receptor modulator;
serotonergic antagonist |
| ly 367265 | [no description available] | medium | 0 | 0 | dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline | antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor |
| zuclopenthixol | [no description available] | low | 0 | 0 | clopenthixol | alpha-adrenergic antagonist;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| palonosetron | [no description available] | low | 0 | 0 | azabicycloalkane;
delta-lactam;
organic heterotricyclic compound | antiemetic;
serotonergic antagonist |
| 1-methyl-d-lysergic acid butanolamide | [no description available] | low | 0 | 0 | ergot alkaloid;
monocarboxylic acid amide | serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent |
| flibanserin | [no description available] | low | 0 | 0 | benzimidazoles;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound | antidepressant;
serotonergic agonist;
serotonergic antagonist |
| rs 25259-197 | [no description available] | low | 0 | 0 | hydrochloride | antiemetic;
serotonergic antagonist |
| vortioxetine | [no description available] | low | 0 | 0 | aryl sulfide;
N-arylpiperazine | antidepressant;
anxiolytic drug;
serotonergic agonist;
serotonergic antagonist |
| pimavanserin | [no description available] | medium | 0 | 0 | aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas | 5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist |
| demethylmirtazapine | [no description available] | low | 0 | 0 | benzazepine;
tetracyclic antidepressant | alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
human xenobiotic metabolite;
serotonergic antagonist |
| lurasidone hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | adrenergic antagonist;
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist |
| GR 127935 hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | serotonergic antagonist |
| pipamperone dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride | dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| brl 15572 | [no description available] | low | 0 | 0 | hydrochloride | prodrug;
serotonergic antagonist |
| 1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one | [no description available] | low | 0 | 0 | hydrochloride | receptor modulator;
serotonergic antagonist |
| rs 39604 | [no description available] | low | 0 | 0 | hydrochloride | serotonergic antagonist |
| 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 |
| clozapine | [no description available] | low | 0 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound | adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic |
| olanzapine | [no description available] | low | 0 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine | antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor |
| phosphonoacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phosphonic acids | antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor |
| win 53338 | [no description available] | low | 0 | 0 | isoxazoles;
monochlorobenzenes | antiviral agent |
| rtki cpd | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
quinazolines | antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector |
| buformin | [no description available] | low | 0 | 0 | biguanides | antineoplastic agent;
antiviral agent;
geroprotector;
hypoglycemic agent;
radiosensitizing agent |
| tilorone | [no description available] | medium | 0 | 0 | aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound | anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist |
| cytarabine | [no description available] | low | 0 | 0 | beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside | antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent |
| 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 |
| 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 |
| amantadine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antiviral agent;
dopamine agonist;
NMDA receptor antagonist |
| 3'-deoxyadenosine 5'-triphosphate | [no description available] | low | 0 | 0 | purine ribonucleoside 5'-triphosphate | antifungal agent;
antimetabolite;
antineoplastic agent;
antiviral agent |
| hydroxyguanidine | [no description available] | low | 0 | 0 | guanidines;
one-carbon compound | antineoplastic agent;
antiviral agent |
| cryptopleurine | [no description available] | low | 0 | 0 | alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound | antineoplastic agent;
antiviral agent;
protein synthesis inhibitor |
| diosgenin | [no description available] | low | 0 | 0 | 3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal | antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite |
| ribavirin 5'-diphosphate | [no description available] | low | 0 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose monophosphate | antiviral agent;
drug metabolite;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
human blood serum metabolite |
| dioscin | [no description available] | low | 0 | 0 | hexacyclic triterpenoid;
spiroketal;
spirostanyl glycoside;
trisaccharide derivative | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 1.14.18.1 (tyrosinase) inhibitor;
hepatoprotective agent;
metabolite |
| ribavirin 5'-triphosphate | [no description available] | low | 0 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose triphosphate | antiviral agent;
drug metabolite;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
eukaryotic initiation factor 4F inhibitor;
human blood serum metabolite |
| ribavirin 5'-diphosphate | [no description available] | low | 0 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose diphosphate | antiviral agent;
drug metabolite |
| 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 |
| 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 |
| n(4)-hydroxycytidine | [no description available] | low | 0 | 0 | ketoxime;
nucleoside analogue | anticoronaviral agent;
antiviral agent;
drug metabolite;
human xenobiotic metabolite |
| 2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione | [no description available] | low | 0 | 0 | carbopolycyclic compound;
cyclic ketone;
diketone;
spiro compound | antiviral agent |
| nsc 23766 | [no description available] | medium | 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 |
| 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 |
| n-nonyl-1-deoxynojirimycin | [no description available] | medium | 0 | 0 | hydroxypiperidine;
tertiary amino compound | antiviral agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.2.1.45 (glucosylceramidase) inhibitor |
| 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 |
| 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 |
| daphnoretin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxycoumarin | antineoplastic agent;
antiviral agent;
metabolite |
| agathisflavone | [no description available] | low | 0 | 0 | biaryl;
biflavonoid;
hydroxyflavone | antineoplastic agent;
antiviral agent;
hepatoprotective agent;
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 |
| 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 |
| cinanserin | [no description available] | medium | 0 | 0 | aryl sulfide;
cinnamamides;
secondary carboxamide;
tertiary amino compound | anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
| flavasperone | [no description available] | low | 0 | 0 | aromatic ether;
naphtho-gamma-pyrone;
phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor;
antiviral agent;
Aspergillus metabolite;
marine metabolite |
| N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-{(2S,3E)-5-(benzyloxy)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide | [no description available] | low | 0 | 0 | benzyl ester;
isoxazoles;
pyrrolidin-2-ones;
tripeptide | anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
| topopyrone c | [no description available] | low | 0 | 0 | naphthochromene;
p-quinones;
phenols | antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite |
| u 18666a | [no description available] | low | 0 | 0 | hydrochloride | antiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor |
| pateamine a | [no description available] | medium | 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 |
| ganodermadiol | [no description available] | low | 0 | 0 | 3beta-sterol;
primary allylic alcohol;
tetracyclic triterpenoid | antiviral agent;
fungal metabolite;
hepatoprotective 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 |
| nsc 23766 | [no description available] | low | 0 | 0 | hydrochloride | antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist |
| 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 |
| GS-441524 | [no description available] | low | 0 | 0 | aromatic amine;
C-nucleoside;
nitrile;
pyrrolotriazine | anticoronaviral agent;
antiviral agent;
drug metabolite |
| aspulvinone E | [no description available] | low | 0 | 0 | 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one;
aspulvinone | antiviral agent;
Aspergillus metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
marine metabolite |
| surfactin A | [no description available] | low | 0 | 0 | cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
surfactant |
| ARS-1620 | [no description available] | low | 0 | 0 | quinazolines | antineoplastic agent;
antiviral agent;
inhibitor |
| 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 |
| 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 |
| cloflucarban | [no description available] | low | 0 | 0 | monochlorobenzenes;
phenylureas | antibacterial agent |
| physcione | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | anti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite |
| 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 |
| 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 |
| 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] | medium | 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 |
| 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 |
| 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 |
| chuangxinmycin | [no description available] | medium | 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 |
| 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 |
| 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 |
| 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 |
| tryptophan | [no description available] | low | 0 | 0 | alpha-amino acid;
amino acid zwitterion;
aminoalkylindole;
aromatic amino acid;
polar amino acid | Daphnia magna metabolite |
| bromocriptine | [no description available] | low | 0 | 0 | indole alkaloid | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist |
| serpentine (alkaloid) | [no description available] | low | 0 | 0 | carboxylic ester;
iminium betaine;
indole alkaloid;
quinolizines;
zwitterion | |
| canthin-6-one | [no description available] | low | 0 | 0 | enone;
indole alkaloid;
organic heterotetracyclic compound | antimycobacterial drug;
metabolite |
| fumitremorgin b | [no description available] | low | 0 | 0 | indole alkaloid;
organic heteropentacyclic compound | mycotoxin |
| fumitremorgin a | [no description available] | low | 0 | 0 | aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide | mycotoxin |
| yohimbane | [no description available] | low | 0 | 0 | indole alkaloid fundamental parent;
indole alkaloid;
yohimban alkaloid | |
| tilivalline | [no description available] | low | 0 | 0 | indole alkaloid;
indoles;
phenols;
pyrrolobenzodiazepine | bacterial metabolite;
microtubule-stabilising agent;
toxin |
| strictosidine | [no description available] | low | 0 | 0 | alkaloid ester;
beta-D-glucoside;
indole alkaloid;
methyl ester | |
| aspidospermine | [no description available] | low | 0 | 0 | indole alkaloid | |
| tryptoquivaline | [no description available] | low | 0 | 0 | aromatic ether;
indole alkaloid;
organic heteropentacyclic compound | breast cancer resistance protein inhibitor;
mycotoxin |
| hippeastrine | [no description available] | low | 0 | 0 | delta-lactone;
indole alkaloid;
organic heteropentacyclic compound;
secondary alcohol | antineoplastic agent;
metabolite |
| rescinnamine | [no description available] | low | 0 | 0 | indole alkaloid;
methyl ester;
organic heteropentacyclic compound | antihypertensive agent |
| geissospermine | [no description available] | low | 0 | 0 | indole alkaloid;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| ergoline | [no description available] | low | 0 | 0 | diamine;
ergoline alkaloid;
indole alkaloid fundamental parent;
indole alkaloid;
organic heterotetracyclic compound | |
| kopsinine | [no description available] | low | 0 | 0 | indole alkaloid | metabolite |
| aspidofractinine | [no description available] | low | 0 | 0 | indole alkaloid fundamental parent;
indole alkaloid | |
| 9-methoxycanthin-6-one | [no description available] | low | 0 | 0 | aromatic ether;
indole alkaloid;
organic heterotetracyclic compound | antineoplastic agent;
antiplasmodial drug;
metabolite |
| tryprostatin a | [no description available] | low | 0 | 0 | aromatic ether;
dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine | breast cancer resistance protein inhibitor |
| demethoxyfumitremorgin c | [no description available] | low | 0 | 0 | indole alkaloid;
organic heteropentacyclic compound | mycotoxin |
| drymaritin | [no description available] | low | 0 | 0 | enol ether;
enone;
indole alkaloid;
organic heterotetracyclic compound | anti-HIV agent;
metabolite |
| sarpagine | [no description available] | low | 0 | 0 | indole alkaloid;
phenols;
primary alcohol;
secondary amino compound;
tertiary amino compound | |
| verruculogen | [no description available] | low | 0 | 0 | aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide | Aspergillus metabolite;
GABA modulator;
mycotoxin;
Penicillium metabolite;
potassium channel blocker |
| chaetominine | [no description available] | low | 0 | 0 | indole alkaloid;
lactam;
organic heterotetracyclic compound;
quinazolines | metabolite |
| LSM-21619 | [no description available] | low | 0 | 0 | indole alkaloid | |
| gelsemine | [no description available] | low | 0 | 0 | indole alkaloid | |
| 6-methoxyspirotryprostatin b | [no description available] | low | 0 | 0 | aromatic ether;
azaspiro compound;
indole alkaloid;
indolones | antineoplastic agent;
Aspergillus metabolite |
| lorajmine | [no description available] | low | 0 | 0 | indole alkaloid | |
| detajmium | [no description available] | low | 0 | 0 | indole alkaloid | |
| quinacrine | [no description available] | low | 0 | 0 | acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound | antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
| sk&f 77434 | [no description available] | low | 0 | 0 | benzazepine;
catechols;
tertiary amino compound | dopamine agonist |
| 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 |
| ethylisopropylamiloride | [no description available] | low | 0 | 0 | aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound | anti-arrhythmia drug;
neuroprotective agent;
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 |
| amiodarone | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound | cardiovascular drug |
| antazoline | [no description available] | low | 0 | 0 | aromatic amine;
imidazolines;
tertiary amino compound | cholinergic antagonist;
H1-receptor antagonist;
xenobiotic |
| azelastine | [no description available] | low | 0 | 0 | monochlorobenzenes;
phthalazines;
tertiary amino compound | anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor |
| benefin | [no description available] | low | 0 | 0 | C-nitro compound;
organofluorine compound;
substituted aniline;
tertiary amino compound | agrochemical;
herbicide |
| biperiden | [no description available] | low | 0 | 0 | piperidines;
tertiary alcohol;
tertiary amino compound | antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic |
| bromhexine | [no description available] | low | 0 | 0 | organobromine compound;
substituted aniline;
tertiary amino compound | mucolytic |
| bromodiphenhydramine | [no description available] | low | 0 | 0 | organobromine compound;
tertiary amino compound | antimicrobial agent;
H1-receptor antagonist;
muscarinic antagonist |
| bupivacaine | [no description available] | low | 0 | 0 | aromatic amide;
piperidinecarboxamide;
tertiary amino compound | |
| verapamil | [no description available] | low | 0 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| carbinoxamine | [no description available] | low | 0 | 0 | monochlorobenzenes;
pyridines;
tertiary amino compound | anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist |
| 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 |
| chloroquine | [no description available] | low | 0 | 0 | aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug |
| chlorpheniramine | [no description available] | low | 0 | 0 | monochlorobenzenes;
pyridines;
tertiary amino compound | anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor |
| citalopram | [no description available] | low | 0 | 0 | 2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound | |
| clofedanol | [no description available] | low | 0 | 0 | diarylmethane;
tertiary amino compound | antitussive |
| cyclopentolate | [no description available] | low | 0 | 0 | carboxylic ester;
tertiary alcohol;
tertiary amino compound | diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic |
| cycrimine | [no description available] | low | 0 | 0 | piperidines;
tertiary alcohol;
tertiary amino compound | antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist |
| dibucaine | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
tertiary amino compound | topical anaesthetic |
| dilacor xr | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound | |
| diphenhydramine | [no description available] | low | 0 | 0 | ether;
tertiary amino compound | anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative |
| disopyramide | [no description available] | low | 0 | 0 | monocarboxylic acid amide;
pyridines;
tertiary amino compound | anti-arrhythmia drug |
| 1-phenyl-2-palmitoylamino-3-morpholino-1-propanol | [no description available] | low | 0 | 0 | benzyl alcohols;
fatty amide;
morpholines;
secondary alcohol;
tertiary amino compound | |
| doxepin | [no description available] | low | 0 | 0 | dibenzooxepine;
tertiary amino compound | antidepressant |
| profenamine | [no description available] | low | 0 | 0 | phenothiazines;
tertiary amino compound | adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist |
| flavoxate | [no description available] | low | 0 | 0 | carboxylic ester;
flavones;
piperidines;
tertiary amino compound | antispasmodic drug;
muscarinic antagonist;
parasympatholytic |
| flurazepam | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
tertiary amino compound | anticonvulsant;
anxiolytic drug;
GABAA receptor agonist;
sedative |
| vanoxerine | [no description available] | low | 0 | 0 | ether;
N-alkylpiperazine;
organofluorine compound;
tertiary amino compound | dopamine uptake inhibitor |
| gbr 12935 | [no description available] | low | 0 | 0 | ether;
N-alkylpiperazine;
tertiary amino compound | dopamine uptake inhibitor |
| hydroxychloroquine | [no description available] | low | 0 | 0 | aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug |
| isothipendyl | [no description available] | low | 0 | 0 | aromatic amine;
tertiary amino compound | |
| ketotifen | [no description available] | low | 0 | 0 | cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound | anti-asthmatic drug;
H1-receptor antagonist |
| lofepramine | [no description available] | low | 0 | 0 | aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound | antidepressant |
| meperidine | [no description available] | low | 0 | 0 | ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound | antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic |
| mesoridazine | [no description available] | low | 0 | 0 | phenothiazines;
sulfoxide;
tertiary amino compound | dopaminergic antagonist;
first generation antipsychotic |
| methadone | [no description available] | low | 0 | 0 | benzenes;
diarylmethane;
ketone;
tertiary amino compound | |
| metoclopramide | [no description available] | low | 0 | 0 | benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound | antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic |
| minoxidil | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| monodansylcadaverine | [no description available] | low | 0 | 0 | aminonaphthalene;
primary amino compound;
sulfonamide;
tertiary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor;
fluorochrome;
protective agent |
| mosapramine | [no description available] | low | 0 | 0 | azaspiro compound;
dibenzoazepine;
organochlorine compound;
tertiary amino compound | |
| clorgyline | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound | antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| nefopam | [no description available] | low | 0 | 0 | benzoxazocine;
tertiary amino compound | |
| nicardipine | [no description available] | low | 0 | 0 | benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound | |
| nizatidine | [no description available] | low | 0 | 0 | 1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist |
| orphenadrine | [no description available] | low | 0 | 0 | ether;
tertiary amino compound | antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic |
| benoxinate | [no description available] | low | 0 | 0 | amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound | drug allergen;
local anaesthetic;
topical anaesthetic |
| oxybutynin | [no description available] | low | 0 | 0 | acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound | antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic |
| pheniramine | [no description available] | low | 0 | 0 | pyridines;
tertiary amino compound | |
| piromidic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound | antibacterial drug;
DNA synthesis inhibitor |
| procaine | [no description available] | low | 0 | 0 | benzoate ester;
substituted aniline;
tertiary amino compound | central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug |
| psilocin | [no description available] | low | 0 | 0 | hydroxyindoles;
phenols;
tertiary amino compound;
tryptamine alkaloid | drug metabolite;
fungal metabolite;
hallucinogen;
human xenobiotic metabolite;
serotonergic agonist |
| 7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol | [no description available] | low | 0 | 0 | benzazepine;
organochlorine compound;
tertiary amino compound | dopaminergic antagonist |
| sibutramine | [no description available] | low | 0 | 0 | organochlorine compound;
tertiary amino compound | anti-obesity agent;
serotonin uptake inhibitor |
| tetracaine | [no description available] | low | 0 | 0 | benzoate ester;
tertiary amino compound | local anaesthetic |
| tosufloxacin | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound | |
| 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 |
| ultram | [no description available] | low | 0 | 0 | aromatic ether;
tertiary alcohol;
tertiary amino compound | |
| trimipramine | [no description available] | low | 0 | 0 | dibenzoazepine;
tertiary amino compound | antidepressant;
environmental contaminant;
xenobiotic |
| venlafaxine | [no description available] | low | 0 | 0 | cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound | adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic |
| zotepine | [no description available] | low | 0 | 0 | dibenzothiepine;
tertiary amino compound | alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug |
| phentolamine | [no description available] | low | 0 | 0 | imidazoles;
phenols;
substituted aniline;
tertiary amino compound | alpha-adrenergic antagonist;
vasodilator agent |
| aminopyrine | [no description available] | low | 0 | 0 | pyrazolone;
tertiary amino compound | antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| tetrabenazine | [no description available] | low | 0 | 0 | benzoquinolizine;
cyclic ketone;
tertiary amino compound | |
| acepromazine | [no description available] | low | 0 | 0 | aromatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound | phenothiazine antipsychotic drug |
| egtazic acid | [no description available] | low | 0 | 0 | diether;
tertiary amino compound;
tetracarboxylic acid | chelator |
| thenyldiamine | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 4-(dimethylamino)benzaldehyde | [no description available] | low | 0 | 0 | benzaldehydes;
substituted aniline;
tertiary amino compound | chromogenic compound |
| 2-diethylaminoethanol | [no description available] | low | 0 | 0 | ethanolamines;
primary alcohol;
tertiary amino compound | |
| triethanolamine | [no description available] | low | 0 | 0 | amino alcohol;
tertiary amino compound;
triol | buffer;
surfactant |
| 4-nitrosodimethylaniline | [no description available] | low | 0 | 0 | dimethylaniline;
nitroso compound;
tertiary amino compound | |
| triethylenediamine | [no description available] | low | 0 | 0 | bridged compound;
diamine;
saturated organic heterobicyclic parent;
tertiary amino compound | antioxidant;
catalyst;
reagent |
| psilocybin | [no description available] | low | 0 | 0 | organic phosphate;
tertiary amino compound;
tryptamine alkaloid | fungal metabolite;
hallucinogen;
prodrug;
serotonergic agonist |
| neutral red base | [no description available] | low | 0 | 0 | aromatic amine;
phenazines;
primary amino compound;
tertiary amino compound | acid-base indicator;
dye;
two-colour indicator |
| benzydamine | [no description available] | low | 0 | 0 | aromatic ether;
indazoles;
tertiary amino compound | analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug |
| 4-dimethylaminopyridine | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| prothipendyl | [no description available] | low | 0 | 0 | aromatic amine;
tertiary amino compound | |
| dymanthine | [no description available] | low | 0 | 0 | tertiary amino compound | |
| azaperone | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ketone;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
tertiary amino compound | antipsychotic agent;
dopaminergic antagonist |
| glyphosphine | [no description available] | low | 0 | 0 | glycine derivative;
phosphonic acids;
tertiary amino compound | plant growth retardant |
| c.i. solvent yellow 56 | [no description available] | low | 0 | 0 | azobenzenes;
substituted aniline;
tertiary amino compound | dye;
mutagen |
| 4-dimethylaminophenol | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| ethyl 4-dimethylaminobenzoate | [no description available] | low | 0 | 0 | benzoate ester;
ethyl ester;
tertiary amino compound | |
| mopidamol | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| thenalidine | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| oryzalin | [no description available] | low | 0 | 0 | aromatic amine;
C-nitro compound;
sulfonamide;
tertiary amino compound | agrochemical;
antimitotic;
herbicide |
| pirimicarb | [no description available] | low | 0 | 0 | aminopyrimidine;
carbamate ester;
tertiary amino compound | agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic |
| dihydro-beta-erythroidine | [no description available] | low | 0 | 0 | delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound | nicotinic antagonist |
| propamocarb | [no description available] | low | 0 | 0 | carbamate ester;
carbamate fungicide;
tertiary amino compound | antifungal agrochemical;
environmental contaminant;
xenobiotic |
| tridemorph | [no description available] | low | 0 | 0 | morpholines;
tertiary amino compound | antifungal agrochemical |
| amitraz | [no description available] | low | 0 | 0 | formamidines;
tertiary amino compound | acaricide;
environmental contaminant;
insecticide;
xenobiotic |
| butaclamol | [no description available] | low | 0 | 0 | amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound | dopaminergic antagonist |
| 2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline | [no description available] | low | 0 | 0 | isoquinolinol;
tertiary amino compound | human metabolite;
neurotoxin;
rat metabolite |
| vx | [no description available] | low | 0 | 0 | organic thiophosphate;
tertiary amino compound | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin |
| 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 |
| miglustat | [no description available] | low | 0 | 0 | piperidines;
tertiary amino compound | anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor |
| loceryl | [no description available] | low | 0 | 0 | morpholine antifungal drug;
tertiary amino compound | EC 1.14.13.132 (squalene monooxygenase) inhibitor;
EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
| mifepristone | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound | abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive |
| carmoxirole | [no description available] | low | 0 | 0 | indolecarboxylic acid;
tertiary amino compound;
tetrahydropyridine | antihypertensive agent;
dopamine agonist;
platelet aggregation inhibitor |
| naxagolide | [no description available] | low | 0 | 0 | organic heterotricyclic compound;
phenols;
tertiary amino compound | anticonvulsant;
antiparkinson drug;
dopamine agonist |
| temafloxacin | [no description available] | low | 0 | 0 | amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound | |
| tiagabine | [no description available] | low | 0 | 0 | beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes | anticonvulsant;
GABA reuptake inhibitor |
| eliprodil | [no description available] | low | 0 | 0 | monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound | |
| 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 |
| carfentanil | [no description available] | low | 0 | 0 | methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide | mu-opioid receptor agonist;
opioid analgesic;
tranquilizing drug |
| acridine orange | [no description available] | low | 0 | 0 | aminoacridines;
aromatic amine;
tertiary amino compound | fluorochrome;
histological dye |
| tenocyclidine | [no description available] | low | 0 | 0 | piperidines;
tertiary amino compound;
thiophenes | central nervous system stimulant;
hallucinogen;
neuroprotective agent;
NMDA receptor antagonist |
| nile red | [no description available] | low | 0 | 0 | aromatic amine;
cyclic ketone;
organic heterotetracyclic compound;
tertiary amino compound | fluorochrome;
histological dye |
| d 888 | [no description available] | low | 0 | 0 | aromatic ether;
nitrile;
tertiary amino compound | anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent |
| 4-(diethylamino)benzaldehyde | [no description available] | low | 0 | 0 | aromatic amine;
benzaldehydes;
tertiary amino compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
| propildazine | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| uk 68798 | [no description available] | low | 0 | 0 | aromatic ether;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
potassium channel blocker |
| tubulosine | [no description available] | low | 0 | 0 | beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound | |
| rivastigmine | [no description available] | low | 0 | 0 | carbamate ester;
tertiary amino compound | cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent |
| dimethylformamide-dimethylacetal | [no description available] | low | 0 | 0 | acetal;
tertiary amino compound | chromatographic reagent |
| n-(3-(dimethylamino)propyl)methacrylamide | [no description available] | low | 0 | 0 | tertiary amino compound | |
| n,n-diisopropylethylamine | [no description available] | low | 0 | 0 | tertiary amino compound | |
| spiroxamine | [no description available] | low | 0 | 0 | dioxolane;
spiroketal;
tertiary amino compound | antifungal agrochemical;
environmental contaminant;
sterol biosynthesis inhibitor;
xenobiotic |
| triflusulfuron-methyl | [no description available] | low | 0 | 0 | 1,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide |
| allocryptopine | [no description available] | low | 0 | 0 | aromatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound | |
| sporidesmin | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound | mycotoxin;
Wnt signalling activator |
| ecgonine methyl ester | [no description available] | low | 0 | 0 | methyl ester;
tertiary amino compound;
tropane alkaloid | analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug |
| 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 |
| aporphine | [no description available] | low | 0 | 0 | aporphine alkaloid;
isoquinoline alkaloid fundamental parent;
tertiary amino compound | |
| efonidipine | [no description available] | low | 0 | 0 | C-nitro compound;
carboxylic ester;
dihydropyridine;
tertiary amino compound | |
| mosapride | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound | |
| n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide | [no description available] | low | 0 | 0 | benzenes;
coumarins;
maleimides;
tertiary amino compound | fluorescent dye |
| 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 |
| lofentanil | [no description available] | low | 0 | 0 | methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide | mu-opioid receptor agonist;
opioid analgesic |
| 1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine | [no description available] | low | 0 | 0 | 1-benzothiophenes;
piperidines;
tertiary amino compound | dopamine uptake inhibitor |
| desvenlafaxine | [no description available] | low | 0 | 0 | cyclohexanols;
phenols;
tertiary amino compound | antidepressant;
drug metabolite;
marine xenobiotic metabolite |
| xaliproden | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
naphthalenes;
tertiary amino compound;
tetrahydropyridine | serotonergic agonist |
| ulipristal acetate | [no description available] | low | 0 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester;
tertiary amino compound | contraceptive drug;
progesterone receptor modulator;
progestin |
| sr 57227a | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| ivabradine | [no description available] | low | 0 | 0 | aromatic ether;
benzazepine;
carbobicyclic compound;
tertiary amino compound | cardiotonic drug |
| 2,8-dinitroimipramine | [no description available] | low | 0 | 0 | C-nitro compound;
dibenzoazepine;
tertiary amino compound | |
| sk&f 83959 | [no description available] | low | 0 | 0 | benzazepine;
catechols;
organochlorine compound;
tertiary amino compound | dopamine agonist |
| 5,6-didehydrosparteine | [no description available] | low | 0 | 0 | organic heterotetracyclic compound;
quinolizidine alkaloid;
tertiary amino compound | human xenobiotic metabolite |
| stephenanthrine | [no description available] | low | 0 | 0 | cyclic acetal;
organic heterotetracyclic compound;
tertiary amino compound | |
| hydromethylthionine | [no description available] | low | 0 | 0 | aromatic amine;
phenothiazines;
tertiary amino compound | bacterial xenobiotic metabolite;
fluorochrome;
mouse metabolite;
rat metabolite |
| nbi 27914 | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 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 |
| antalarmin | [no description available] | low | 0 | 0 | pyrrolopyrimidine;
tertiary amino compound | corticotropin-releasing factor receptor antagonist |
| alpha-putrescinylthymine | [no description available] | low | 0 | 0 | N-substituted putrescine;
pyrimidine nucleobase;
pyrimidone;
secondary amino compound;
tertiary amino compound | |
| dronedarone | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
environmental contaminant;
xenobiotic |
| 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 |
| 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 |
| azaleucine | [no description available] | low | 0 | 0 | alanine derivative;
leucine derivative;
non-proteinogenic alpha-amino acid;
tertiary amino compound | |
| 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 |
| rocuronium | [no description available] | low | 0 | 0 | 3alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound | drug allergen;
muscle relaxant;
neuromuscular agent |
| oxyacanthine | [no description available] | low | 0 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines;
macrocycle;
phenols;
tertiary amino compound | |
| ergonovine | [no description available] | low | 0 | 0 | ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound | diagnostic agent;
fungal metabolite;
oxytocic;
toxin |
| colforsin daropate | [no description available] | low | 0 | 0 | acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound | adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent |
| afimoxifene | [no description available] | low | 0 | 0 | phenols;
tertiary amino compound | antineoplastic agent;
estrogen receptor antagonist;
metabolite |
| efinaconazole | [no description available] | low | 0 | 0 | conazole antifungal drug;
olefinic compound;
organofluorine compound;
piperidines;
tertiary alcohol;
tertiary amino compound;
triazole antifungal drug | EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
| 3-(4-chlorophenyl)-6-(1-pyrrolidinyl)-1,2,4,5-tetrazine | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 7-(2-methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine | [no description available] | low | 0 | 0 | aromatic amine;
tertiary amino compound | |
| tiamulin | [no description available] | low | 0 | 0 | carbotricyclic compound;
carboxylic ester;
cyclic ketone;
organic sulfide;
secondary alcohol;
semisynthetic derivative;
tertiary amino compound;
tetracyclic diterpenoid | antibacterial drug |
| 2-amino-4-(cyanomethyl)-6-(N-methylanilino)pyridine-3,5-dicarbonitrile | [no description available] | low | 0 | 0 | aromatic amine;
tertiary amino compound | |
| N-[4-(diethylamino)phenyl]-N'-phenylurea | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 4-bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine | [no description available] | low | 0 | 0 | piperidines;
quinazolines;
tertiary amino compound;
toluenes | |
| 4-(2,3-dihydro-1H-indol-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine | [no description available] | low | 0 | 0 | aromatic amine;
tertiary amino compound | |
| 4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenol | [no description available] | low | 0 | 0 | aromatic amine;
tertiary amino compound | |
| 4-[[4-bromo-5-(4-morpholinyl)-2-furanyl]methylideneamino]phenol | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 4-chloro-5-(dimethylamino)-2-(4-methylphenyl)-3-pyridazinone | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine | [no description available] | low | 0 | 0 | pyridines;
quinazolines;
tertiary amino compound | |
| 2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 2-[[4-(4-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide | [no description available] | low | 0 | 0 | morpholines;
pyrimidone;
secondary carboxamide;
tertiary amino compound | |
| 2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide | [no description available] | low | 0 | 0 | aromatic amine;
tertiary amino compound | |
| 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 |
| 3-(1-pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| wiskostatin | [no description available] | low | 0 | 0 | carbazoles;
organobromine compound;
secondary alcohol;
tertiary amino compound | |
| 2-[[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine | [no description available] | low | 0 | 0 | aromatic amine;
tertiary amino compound | |
| 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 3-[[5,5-dimethyl-3-(4-morpholinyl)-1-cyclohex-2-enylidene]amino]-N,N-dimethylaniline | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| ranitidine | [no description available] | low | 0 | 0 | C-nitro compound;
furans;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic |
| stenusin | [no description available] | low | 0 | 0 | piperidine alkaloid;
tertiary amino compound | |
| 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 |
| noribogaine | [no description available] | low | 0 | 0 | monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
secondary amino compound;
tertiary amino compound | kappa-opioid receptor agonist;
NMDA receptor antagonist;
psychotropic drug;
serotonin uptake inhibitor |
| 2-[[4-(3-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone | [no description available] | low | 0 | 0 | aromatic amine;
tertiary amino compound | |
| N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 5-(1-azepanyl)-1,3,4-thiadiazol-2-amine | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 3-(5-chloro-2-methylphenyl)-6-(2,6-dimethyl-4-morpholinyl)-1H-pyrimidine-2,4-dione | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| nafadotride | [no description available] | low | 0 | 0 | aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound | dopaminergic antagonist |
| N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine | [no description available] | low | 0 | 0 | aromatic amine;
tertiary amino compound | |
| clopidogrel carboxylic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine | drug metabolite;
marine xenobiotic metabolite |
| N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine | [no description available] | low | 0 | 0 | aromatic amine;
piperidines;
pyridines;
quinazolines;
secondary amino compound;
tertiary amino compound | |
| 3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| josamycin | [no description available] | low | 0 | 0 | acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound | antibacterial drug;
metabolite |
| acetylspiramycin | [no description available] | low | 0 | 0 | acetate ester;
aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound | antibacterial drug;
antimicrobial agent;
bacterial metabolite |
| n,n-dimethylsphingenine | [no description available] | low | 0 | 0 | aminodiol;
sphingoid;
tertiary amino compound | EC 2.7.1.91 (sphingosine kinase) 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 |
| 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin | [no description available] | low | 0 | 0 | 1,4-benzoquinones;
ansamycin;
carbamate ester;
secondary amino compound;
tertiary amino compound | Hsp90 inhibitor |
| 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 |
| bosutinib | [no description available] | low | 0 | 0 | aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor |
| su 11652 | [no description available] | low | 0 | 0 | olefinic compound;
organochlorine compound;
oxindoles;
pyrrolecarboxamide;
tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor |
| 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 |
| bedaquiline | [no description available] | low | 0 | 0 | aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound | antitubercular agent;
ATP synthase inhibitor |
| oripavine | [no description available] | low | 0 | 0 | ether;
morphinane alkaloid;
organic heteropentacyclic compound;
organic hydroxy compound;
tertiary amino compound | bacterial xenobiotic metabolite;
opioid analgesic |
| DPI2 | [no description available] | low | 0 | 0 | benzenes;
morpholines;
secondary carboxamide;
tertiary amino compound;
thiazolidinone | ferroptosis inducer |
| 7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin | [no description available] | low | 0 | 0 | organoiodine compound;
phenols;
tertiary amino compound;
tetralins | dopamine agonist |
| sdz eaa 494 | [no description available] | low | 0 | 0 | monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound | anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist |
| demycarosylturimycin h | [no description available] | low | 0 | 0 | aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound | antibacterial drug;
antimicrobial agent;
bacterial metabolite |
| ro 25-6981 | [no description available] | low | 0 | 0 | benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound | anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist |
| eaa-090 | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| prasugrel | [no description available] | low | 0 | 0 | acetate ester;
cyclopropanes;
ketone;
monofluorobenzenes;
tertiary amino compound;
thienopyridine | |
| bay 58-2667 | [no description available] | low | 0 | 0 | aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound | antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator 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 |
| px-866 | [no description available] | low | 0 | 0 | acetate ester;
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| 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 |
| selexipag | [no description available] | low | 0 | 0 | aromatic amine;
ether;
monocarboxylic acid amide;
N-sulfonylcarboxamide;
pyrazines;
tertiary amino compound | orphan drug;
platelet aggregation inhibitor;
prodrug;
prostacyclin receptor agonist;
vasodilator agent |
| 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 |
| tofacitinib | [no description available] | low | 0 | 0 | N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound | antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| mre 269 | [no description available] | low | 0 | 0 | aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound | drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent |
| n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride | [no description available] | low | 0 | 0 | aromatic ether;
hydrochloride;
methoxybenzenes;
tertiary amino compound | antipsychotic agent;
receptor modulator |
| 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 |
| 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 |
| 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 |
| PDGF receptor tyrosine kinase inhibitor III | [no description available] | low | 0 | 0 | aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) 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 |
| azd 8931 | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist |
| 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 |
| finafloxacin | [no description available] | low | 0 | 0 | cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound | antibacterial drug;
antimicrobial 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 |
| ku 0063794 | [no description available] | low | 0 | 0 | benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound | antineoplastic agent;
mTOR inhibitor |
| 8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one | [no description available] | low | 0 | 0 | aromatic ether;
coumarins;
pyrrolidines;
tertiary amino compound | |
| flupyradifurone | [no description available] | low | 0 | 0 | butenolide;
enamine;
monochloropyridine;
organofluorine insecticide;
tertiary amino compound | insecticide;
nicotinic acetylcholine receptor agonist |
| alcaftadine | [no description available] | low | 0 | 0 | aldehyde;
imidazobenzazepine;
piperidines;
tertiary amino compound | anti-allergic agent;
H1-receptor antagonist |
| 2-[[4-(4-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 2-[[4-(2-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 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 |
| 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 |
| 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 |
| 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 |
| (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 |
| N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| (2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| N-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| (2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 3-cyclohexyl-1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 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 |
| 1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 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 |
| delgocitinib | [no description available] | low | 0 | 0 | azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide | anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| pf 956980 | [no description available] | low | 0 | 0 | N-acylpiperidine;
N-acylpyrrolidine;
pyrrolopyrimidine;
tertiary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) 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 |
| 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 |
| 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 |
| 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 |
| MLI-2 | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| ap20187 | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound | ligand |
| BDA-366 | [no description available] | low | 0 | 0 | anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer |
| 5-(2-chloro-6-fluorobenzyl)-6-methyl-2-morpholinopyrimidin-4-ol | [no description available] | low | 0 | 0 | dialkylarylamine;
tertiary amino compound | |
| 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 |
| sb-590885 | [no description available] | low | 0 | 0 | aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound | |
| sotorasib | [no description available] | low | 0 | 0 | acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide | antineoplastic agent |