| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| pentabromophenol | [no description available] | medium | 4 | 0 | | |
| tetrabromobisphenol a | [no description available] | medium | 14 | 0 | brominated flame retardant;
bromobisphenol | |
| hexabromobenzene | [no description available] | medium | 1 | 0 | | |
| dihydrotestosterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
| 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane | [no description available] | medium | 1 | 0 | | |
| beta-bromostyrene | [no description available] | medium | 1 | 0 | | |
| decabromodiphenyl ethane | [no description available] | medium | 1 | 0 | | |
| tribromodiphenyl ether 28 | [no description available] | medium | 1 | 0 | polybromodiphenyl ether | |
| bde 183 | [no description available] | medium | 1 | 0 | aromatic ether;
organobromine compound | |
| 2,4,6-tris(2,4,6-tribromophenoxy)-1,3,5-triazine | [no description available] | medium | 1 | 0 | | |
| 2,3,4,6-tetrachlorophenol | [no description available] | medium | 8 | 0 | tetrachlorophenol | xenobiotic metabolite |
| 2,4,6-trichlorophenol | [no description available] | medium | 6 | 0 | trichlorophenol | carcinogenic agent |
| bromine | [no description available] | medium | 6 | 0 | diatomic bromine | |
| dibenzofuran | [no description available] | medium | 2 | 0 | dibenzofurans;
mancude organic heterotricyclic parent;
polycyclic heteroarene | xenobiotic |
| bisphenol a | [no description available] | medium | 6 | 0 | bisphenol | endocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen |
| 2,4-dibromophenol | [no description available] | high | 16 | 0 | brominated flame retardant;
bromophenol;
dibromobenzene | marine metabolite |
| tryptophan | [no description available] | medium | 1 | 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 |
| thyroxine | [no description available] | medium | 4 | 0 | 2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine | antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone |
| 1-methylpyridinium | [no description available] | medium | 1 | 0 | methylpyridines | |
| phenyl ether | [no description available] | medium | 1 | 0 | aromatic ether | plant metabolite |
| ethane | [no description available] | medium | 1 | 0 | alkane;
gas molecular entity | plant metabolite;
refrigerant |
| dibenzo(1,4)dioxin | [no description available] | medium | 2 | 0 | dibenzodioxine;
heteranthrene;
mancude organic heterotricyclic parent;
oxacycle;
polycyclic heteroarene | |
| 1,2-bis(2,4,6-tribromophenoxy)ethane | [no description available] | medium | 2 | 0 | | |
| warfarin | [no description available] | medium | 1 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| 1,3-butadiene | [no description available] | medium | 1 | 0 | butadiene | carcinogenic agent;
mutagen |
| phencyclidine | [no description available] | medium | 1 | 0 | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug |
| 3,3'-diiodothyronine | [no description available] | medium | 1 | 0 | 3,3'-diiodothyronine;
amino acid zwitterion | human metabolite |
| 2,2',4,4'-tetrabromodiphenyl ether | [no description available] | medium | 2 | 0 | aromatic ether;
organobromine compound | |
| triiodothyronine | [no description available] | medium | 3 | 0 | 2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine | human metabolite;
mouse metabolite;
thyroid hormone |
| 2,4,6-triiodophenol | [no description available] | medium | 2 | 0 | | |
| dimethyl sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
| methanol | [no description available] | medium | 1 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
| 2-propanol | [no description available] | medium | 1 | 0 | secondary alcohol;
secondary fatty alcohol | protic solvent |
| silver | [no description available] | medium | 1 | 0 | copper group element atom;
elemental silver | Escherichia coli metabolite |
| methane | [no description available] | medium | 1 | 0 | alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound | bacterial metabolite;
fossil fuel;
greenhouse gas |
| hydroquinone | [no description available] | medium | 2 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
| 3,5-dibromo-2-(2,4-dibromophenoxy)phenol | [no description available] | medium | 1 | 0 | | |
| bromide | [no description available] | medium | 2 | 0 | halide anion;
monoatomic bromine | |
| orabase | [no description available] | medium | 1 | 0 | | |
| bromochloroacetic acid | [no description available] | medium | 1 | 0 | 2-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound | |
| 4-bromophenol | [no description available] | high | 7 | 0 | bromophenol | human urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite |
| phenol | [no description available] | medium | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
| hydroxyl radical | [no description available] | medium | 1 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
| bathocuproine disulfonate | [no description available] | medium | 1 | 0 | arenesulfonic acid;
phenanthrolines | chelator |
| deoxyguanosine | [no description available] | medium | 1 | 0 | purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| bromoxynil | [no description available] | medium | 1 | 0 | dibromobenzene;
hydroxynitrile;
phenols | environmental contaminant;
herbicide;
xenobiotic |
| 8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 1 | 0 | guanosines | biomarker |
| 1,7-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | |
| 2,4,6-tribromoanisole | [no description available] | medium | 2 | 0 | | |
| 2,4,6-trichloroanisole | [no description available] | medium | 1 | 0 | monomethoxybenzene;
trichlorobenzene | |
| 2-bromophenol | [no description available] | high | 5 | 0 | bromophenol | marine metabolite |
| 2,6-dibromophenol | [no description available] | medium | 4 | 0 | bromohydrocarbon;
dibromophenol | marine metabolite |
| pentachloroanisole | [no description available] | medium | 2 | 0 | | |
| pentachlorophenol | [no description available] | medium | 2 | 0 | aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes | human xenobiotic metabolite |
| laccase | [no description available] | medium | 1 | 0 | | |
| copper sulfate | [no description available] | medium | 1 | 0 | metal sulfate | emetic;
fertilizer;
sensitiser |
| phenanthrene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes | environmental contaminant;
mouse metabolite |
| phenanthrenes | [no description available] | medium | 1 | 0 | | |
| 4-chlorophenol | [no description available] | medium | 1 | 0 | monochlorophenol | |
| 2,6-dichlorophenol | [no description available] | medium | 1 | 0 | dichlorophenol | |
| trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
| carbon tetrachloride | [no description available] | medium | 1 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
| acetic anhydride | [no description available] | medium | 1 | 0 | acyclic carboxylic anhydride | metabolite;
reagent |
| acetone | [no description available] | medium | 1 | 0 | ketone body;
methyl ketone;
propanones;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent |
| benzofurans | [no description available] | medium | 1 | 0 | | |
| toluene | [no description available] | medium | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
| diethylhexyl phthalate | [no description available] | medium | 1 | 0 | diester;
phthalate ester | androstane receptor agonist;
apoptosis inhibitor;
plasticiser |
| decabromobiphenyl ether | [no description available] | medium | 1 | 0 | polybromodiphenyl ether | neurotoxin |
| formaldehyde | [no description available] | medium | 1 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| mupirocin | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol | antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor |
| celecoxib | [no description available] | medium | 1 | 0 | organofluorine compound;
pyrazoles;
sulfonamide;
toluenes | cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| delphinidin | [no description available] | medium | 1 | 0 | anthocyanidin chloride | |
| limestone | [no description available] | medium | 4 | 0 | calcium salt;
carbonate salt;
inorganic calcium salt;
one-carbon compound | antacid;
fertilizer;
food colouring;
food firming agent |
| benzene | [no description available] | medium | 1 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
| skatole | [no description available] | medium | 1 | 0 | methylindole | human metabolite;
mammalian metabolite |
| nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| 1,2,3,4-tetrachlorobenzene | [no description available] | medium | 1 | 0 | tetrachlorobenzene | |
| cocaine | [no description available] | medium | 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 |
| naphthalene | [no description available] | medium | 1 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
| 1-octanol | [no description available] | medium | 1 | 0 | octanol;
primary alcohol | antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite |
| chiniofon | [no description available] | medium | 1 | 0 | | |
| clioquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline;
organochlorine compound;
organoiodine compound | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator |
| zinc oxide | [no description available] | medium | 1 | 0 | zinc molecular entity | |
| lidocaine | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| methoxsalen | [no description available] | medium | 1 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
| dictamnine | [no description available] | medium | 1 | 0 | alkaloid antibiotic;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
| 5-methoxypsoralen | [no description available] | medium | 1 | 0 | 5-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens | hepatoprotective agent;
plant metabolite |
| butylphen | [no description available] | medium | 1 | 0 | phenols | allergen |
| glucuronic acid | [no description available] | medium | 1 | 1 | D-glucuronic acid | algal metabolite |
| bupropion | [no description available] | low | 0 | 0 | aromatic ketone;
monochlorobenzenes;
secondary amino compound | antidepressant;
environmental contaminant;
xenobiotic |
| pyridine | [no description available] | low | 0 | 0 | azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines | environmental contaminant;
NMR chemical shift reference compound |
| 1-(3-chlorophenyl)piperazine | [no description available] | low | 0 | 0 | monochlorobenzenes;
N-arylpiperazine | drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic |
| 2,4-dichlorophenoxyacetic acid | [no description available] | low | 0 | 0 | chlorophenoxyacetic acid;
dichlorobenzene | agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin |
| 4-nonylphenol | [no description available] | low | 0 | 0 | phenols | environmental contaminant |
| acetaminophen | [no description available] | low | 0 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| acetochlor | [no description available] | low | 0 | 0 | aromatic amide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
xenobiotic |
| alachlor | [no description available] | low | 0 | 0 | aromatic amide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
xenobiotic |
| albuterol | [no description available] | low | 0 | 0 | phenols;
phenylethanolamines;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic |
| diatrizoic acid | [no description available] | low | 0 | 0 | acetamides;
benzoic acids;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| dan 2163 | [no description available] | low | 0 | 0 | aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone | environmental contaminant;
second generation antipsychotic;
xenobiotic |
| amitriptyline | [no description available] | low | 0 | 0 | carbotricyclic compound;
tertiary amine | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic |
| antipyrine | [no description available] | low | 0 | 0 | pyrazolone | antipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| atenolol | [no description available] | low | 0 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
| atrazine | [no description available] | low | 0 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
| bentazone | [no description available] | low | 0 | 0 | benzothiadiazine | environmental contaminant;
herbicide;
xenobiotic |
| caffeine | [no description available] | low | 0 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
| candesartan | [no description available] | low | 0 | 0 | benzimidazolecarboxylic acid;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| carbamazepine | [no description available] | low | 0 | 0 | dibenzoazepine;
ureas | analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic |
| cetirizine | [no description available] | low | 0 | 0 | ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines | anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic |
| chlorpyrifos | [no description available] | low | 0 | 0 | chloropyridine;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic |
| ciprofloxacin | [no description available] | low | 0 | 0 | aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion | antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic |
| clotrimazole | [no description available] | low | 0 | 0 | conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes | antiinfective agent;
environmental contaminant;
xenobiotic |
| diazepam | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| diazinon | [no description available] | low | 0 | 0 | organic thiophosphate;
pyrimidines | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic |
| dibutyl phthalate | [no description available] | low | 0 | 0 | diester;
phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent |
| dicamba | [no description available] | low | 0 | 0 | dichlorobenzene;
methoxybenzoic acid | agrochemical;
environmental contaminant;
herbicide;
synthetic auxin;
xenobiotic |
| dichlobanil | [no description available] | low | 0 | 0 | dichlorobenzene;
nitrile | agrochemical;
cellulose synthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
| diclofenac | [no description available] | low | 0 | 0 | amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| dimethoate | [no description available] | low | 0 | 0 | monocarboxylic acid amide;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic |
| diuron | [no description available] | low | 0 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene | environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic |
| ethion | [no description available] | low | 0 | 0 | organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide |
| fenofibrate | [no description available] | low | 0 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| fluconazole | [no description available] | low | 0 | 0 | conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug | environmental contaminant;
P450 inhibitor;
xenobiotic |
| fluorouracil | [no description available] | low | 0 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| furosemide | [no description available] | low | 0 | 0 | chlorobenzoic acid;
furans;
sulfonamide | environmental contaminant;
loop diuretic;
xenobiotic |
| gabapentin | [no description available] | low | 0 | 0 | gamma-amino acid | anticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic |
| hydrochlorothiazide | [no description available] | low | 0 | 0 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| ibuprofen | [no description available] | low | 0 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
| ifosfamide | [no description available] | low | 0 | 0 | ifosfamides | alkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| indomethacin | [no description available] | low | 0 | 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 |
| iohexol | [no description available] | low | 0 | 0 | benzenedicarboxamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| iomeprol | [no description available] | low | 0 | 0 | benzenedicarboxamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| iopromide | [no description available] | low | 0 | 0 | dicarboxylic acid diamide;
organoiodine compound | environmental contaminant;
nephrotoxic agent;
radioopaque medium;
xenobiotic |
| avapro | [no description available] | low | 0 | 0 | azaspiro compound;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| ketamine | [no description available] | low | 0 | 0 | cyclohexanones;
monochlorobenzenes;
secondary amino compound | analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic |
| ketoprofen | [no description available] | low | 0 | 0 | benzophenones;
oxo monocarboxylic acid | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| lamotrigine | [no description available] | low | 0 | 0 | 1,2,4-triazines;
dichlorobenzene;
primary arylamine | anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic |
| tetramisole | [no description available] | low | 0 | 0 | imidazothiazole | environmental contaminant;
xenobiotic |
| mefenamic acid | [no description available] | low | 0 | 0 | aminobenzoic acid;
secondary amino compound | analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| metformin | [no description available] | low | 0 | 0 | guanidines | environmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic |
| methomyl | [no description available] | low | 0 | 0 | aliphatic sulfide;
carbamate ester | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
nematicide;
xenobiotic |
| methyl parathion | [no description available] | low | 0 | 0 | C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin |
| metoclopramide | [no description available] | low | 0 | 0 | benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound | antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic |
| metoprolol | [no description available] | low | 0 | 0 | aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound | antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic |
| metronidazole | [no description available] | low | 0 | 0 | C-nitro compound;
imidazoles;
primary alcohol | antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic |
| moclobemide | [no description available] | low | 0 | 0 | benzamides;
monochlorobenzenes;
morpholines | antidepressant;
environmental contaminant;
xenobiotic |
| deet | [no description available] | low | 0 | 0 | benzamides;
monocarboxylic acid amide | environmental contaminant;
insect repellent;
xenobiotic |
| 1-(3-trifluoromethylphenyl)piperazine | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
N-arylpiperazine | environmental contaminant;
psychotropic drug;
serotonergic agonist;
xenobiotic |
| norfloxacin | [no description available] | low | 0 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic |
| oxazepam | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anxiolytic drug;
environmental contaminant;
xenobiotic |
| oxybenzone | [no description available] | low | 0 | 0 | hydroxybenzophenone;
monomethoxybenzene | dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic |
| pantoprazole | [no description available] | low | 0 | 0 | aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic |
| primidone | [no description available] | low | 0 | 0 | pyrimidone | anticonvulsant;
environmental contaminant;
xenobiotic |
| prometone | [no description available] | low | 0 | 0 | diamino-1,3,5-triazine;
methoxy-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
| prometryne | [no description available] | low | 0 | 0 | diamino-1,3,5-triazine;
methylthio-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
| propachlor | [no description available] | low | 0 | 0 | anilide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
xenobiotic |
| propazine | [no description available] | low | 0 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
| propranolol | [no description available] | low | 0 | 0 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
| saccharin | [no description available] | low | 0 | 0 | 1,2-benzisothiazole;
N-sulfonylcarboxamide | environmental contaminant;
sweetening agent;
xenobiotic |
| sulfadiazine | [no description available] | low | 0 | 0 | pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic |
| simazine | [no description available] | low | 0 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
| sotalol | [no description available] | low | 0 | 0 | ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide | anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic |
| sulfadimethoxine | [no description available] | low | 0 | 0 | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic |
| sulfamethazine | [no description available] | low | 0 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic |
| 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 |
| sulfapyridine | [no description available] | low | 0 | 0 | pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic |
| sulfathiazole | [no description available] | low | 0 | 0 | 1,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic |
| trifluralin | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| trimethoprim | [no description available] | low | 0 | 0 | aminopyrimidine;
methoxybenzenes | antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic |
| 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 |
| prednisolone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| reserpine | [no description available] | low | 0 | 0 | alkaloid ester;
methyl ester;
yohimban alkaloid | adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic |
| spironolactone | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester | aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| aminopyrine | [no description available] | low | 0 | 0 | pyrazolone;
tertiary amino compound | antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| bromodichloromethane | [no description available] | low | 0 | 0 | halomethane | environmental contaminant;
reagent |
| trichlorofluoromethane | [no description available] | low | 0 | 0 | chlorofluorocarbon;
halomethane | environmental contaminant;
NMR chemical shift reference compound;
NMR solvent;
refrigerant |
| tris(2-butoxyethyl) phosphate | [no description available] | low | 0 | 0 | trialkyl phosphate | environmental contaminant;
flame retardant |
| cumene hydroperoxide | [no description available] | low | 0 | 0 | peroxol | environmental contaminant;
Mycoplasma genitalium metabolite;
oxidising agent |
| methylprednisolone | [no description available] | low | 0 | 0 | 6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic |
| 1-nitronaphthalene | [no description available] | low | 0 | 0 | mononitronaphthalene | environmental contaminant;
mouse metabolite |
| 2-nitrotoluene | [no description available] | low | 0 | 0 | mononitrotoluene | carcinogenic agent;
environmental contaminant |
| 2-methyl-4-chlorophenoxyacetic acid | [no description available] | low | 0 | 0 | chlorophenoxyacetic acid;
monochlorobenzenes | environmental contaminant;
phenoxy herbicide;
synthetic auxin |
| 2-methyl-4-chlorophenoxy gamma-butyric acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | environmental contaminant;
phenoxy herbicide;
xenobiotic |
| benzotriazole | [no description available] | low | 0 | 0 | benzotriazoles | environmental contaminant;
xenobiotic |
| benzothiazole | [no description available] | low | 0 | 0 | benzothiazoles | environmental contaminant;
plant metabolite;
xenobiotic |
| benzotrifluoride | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
fluorohydrocarbon | environmental contaminant;
NMR chemical shift reference compound;
solvent |
| n-nitrosopiperidine | [no description available] | low | 0 | 0 | nitrosamine;
piperidine | apoptosis inducer;
carcinogenic agent;
environmental contaminant;
mutagen |
| cyclamic acid | [no description available] | low | 0 | 0 | sulfamic acids | environmental contaminant;
human xenobiotic metabolite |
| triclocarban | [no description available] | low | 0 | 0 | dichlorobenzene;
monochlorobenzenes;
phenylureas | antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic |
| fenuron | [no description available] | low | 0 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea | agrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
xenobiotic |
| diglyme | [no description available] | low | 0 | 0 | polyether | environmental contaminant;
solvent;
xenobiotic |
| 2-naphthalenesulfonic acid | [no description available] | low | 0 | 0 | naphthalenesulfonic acid | environmental contaminant;
xenobiotic |
| 4-sulfanilic acid | [no description available] | low | 0 | 0 | aminobenzenesulfonic acid | allergen;
environmental contaminant;
xenobiotic metabolite;
xenobiotic |
| 5-tolyltriazole | [no description available] | low | 0 | 0 | benzotriazoles | environmental contaminant;
xenobiotic |
| monuron | [no description available] | low | 0 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes | environmental contaminant;
herbicide;
xenobiotic |
| 1,3-dichloropropane | [no description available] | low | 0 | 0 | chloroalkane;
chlorohydrocarbon | environmental contaminant;
nematicide |
| ephedrine | [no description available] | low | 0 | 0 | phenethylamine alkaloid;
phenylethanolamines | bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| linuron | [no description available] | low | 0 | 0 | dichlorobenzene;
phenylureas | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| perfluorooctanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | carcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic |
| perfluorodecanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | environmental contaminant;
xenobiotic |
| perfluorobutyric acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | chromatographic reagent;
environmental contaminant;
xenobiotic |
| triphenylmethane | [no description available] | low | 0 | 0 | triarylmethane | environmental contaminant;
xenobiotic |
| methamphetamine | [no description available] | low | 0 | 0 | amphetamines;
secondary amine | central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic |
| malachite green | [no description available] | low | 0 | 0 | organic chloride salt | antibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent |
| 2,6-dimethylnaphthalene | [no description available] | low | 0 | 0 | dimethylnaphthalene | environmental contaminant |
| brilliant green | [no description available] | low | 0 | 0 | organic hydrogensulfate salt | antibacterial agent;
antiseptic drug;
environmental contaminant;
fluorochrome;
histological dye;
poison |
| ametryne | [no description available] | low | 0 | 0 | diamino-1,3,5-triazine;
methylthio-1,3,5-triazine | environmental contaminant;
herbicide |
| terbutryne | [no description available] | low | 0 | 0 | diamino-1,3,5-triazine;
methylthio-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
| 3-methylfuran | [no description available] | low | 0 | 0 | furans;
volatile organic compound | Aspergillus metabolite;
environmental contaminant;
fungal metabolite;
Penicillium metabolite;
plant metabolite |
| ethambutol | [no description available] | low | 0 | 0 | ethanolamines;
ethylenediamine derivative | antitubercular agent;
environmental contaminant;
xenobiotic |
| metformin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | environmental contaminant;
hypoglycemic agent;
xenobiotic |
| ioxynil | [no description available] | low | 0 | 0 | iodophenol;
nitrile | environmental contaminant;
herbicide;
xenobiotic |
| pyrazon | [no description available] | low | 0 | 0 | benzenes;
organochlorine compound;
primary amino compound;
pyridazinone | environmental contaminant;
herbicide;
xenobiotic |
| methiocarb | [no description available] | low | 0 | 0 | aryl sulfide;
carbamate ester;
methyl sulfide | acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
molluscicide;
xenobiotic |
| lenacil | [no description available] | low | 0 | 0 | cyclopentapyrimidine | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| fluometuron | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
3-(3,4-substituted-phenyl)-1,1-dimethylurea | agrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
xenobiotic |
| 1,2-benzisothiazoline-3-one | [no description available] | low | 0 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound | disinfectant;
drug allergen;
environmental contaminant;
platelet aggregation inhibitor;
sensitiser;
xenobiotic |
| asulam | [no description available] | low | 0 | 0 | carbamate ester;
primary amino compound;
substituted aniline;
sulfonamide | agrochemical;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
| bpmc | [no description available] | low | 0 | 0 | carbamate ester | agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
herbicide;
insecticide |
| chlorpyrifos-methyl | [no description available] | low | 0 | 0 | chloropyridine;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic |
| terbutylazine | [no description available] | low | 0 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
| desmedipham | [no description available] | low | 0 | 0 | carbamate ester | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| phenmedipham | [no description available] | low | 0 | 0 | carbamate ester | environmental contaminant;
herbicide;
xenobiotic |
| chlortoluron | [no description available] | low | 0 | 0 | monochlorobenzenes;
phenylureas | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| methoxuron | [no description available] | low | 0 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes;
monomethoxybenzene | agrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
plant growth regulator;
xenobiotic |
| neohesperidin dihydrochalcone | [no description available] | low | 0 | 0 | dihydrochalcones;
disaccharide derivative;
neohesperidoside | environmental contaminant;
plant metabolite;
sweetening agent;
xenobiotic |
| metribuzin | [no description available] | low | 0 | 0 | 1,2,4-triazines;
cyclic ketone;
organic sulfide | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| cyanazine | [no description available] | low | 0 | 0 | 1,3,5-triazinylamino nitrile;
chloro-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
| 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 |
| butachlor | [no description available] | low | 0 | 0 | aromatic amide;
organochlorine compound;
tertiary carboxamide | environmental contaminant;
herbicide;
xenobiotic |
| propamocarb | [no description available] | low | 0 | 0 | carbamate ester;
carbamate fungicide;
tertiary amino compound | antifungal agrochemical;
environmental contaminant;
xenobiotic |
| 5-chloro-2-methyl-4-isothiazolin-3-one | [no description available] | low | 0 | 0 | 1,2-thiazoles;
organochlorine compound | antimicrobial agent;
environmental contaminant;
xenobiotic |
| 2-n-octyl-4-isothiazolin-3-one | [no description available] | low | 0 | 0 | 1,2-thiazoles | antibacterial agent;
antifungal agrochemical;
environmental contaminant;
xenobiotic |
| pirimiphos methyl | [no description available] | low | 0 | 0 | aminopyrimidine;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide |
| ioxitalamic acid | [no description available] | low | 0 | 0 | acetamides;
benzoic acids;
dicarboxylic acid monoamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| amitraz | [no description available] | low | 0 | 0 | formamidines;
tertiary amino compound | acaricide;
environmental contaminant;
insecticide;
xenobiotic |
| acetosulfame | [no description available] | low | 0 | 0 | organic heteromonocyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
sulfamate ester | environmental contaminant;
sweetening agent;
xenobiotic |
| isoproturon | [no description available] | low | 0 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| pendimethalin | [no description available] | low | 0 | 0 | C-nitro compound;
secondary amino compound;
substituted aniline | agrochemical;
environmental contaminant;
herbicide |
| metamitron | [no description available] | low | 0 | 0 | 1,2,4-triazines | environmental contaminant;
herbicide;
xenobiotic |
| bezafibrate | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| isoprothiolane | [no description available] | low | 0 | 0 | dithiolanes;
isopropyl ester;
malonate ester | antifungal agrochemical;
environmental contaminant;
insecticide;
phospholipid biosynthesis inhibitor |
| triclopyr | [no description available] | low | 0 | 0 | aromatic ether;
chloropyridine;
monocarboxylic acid | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| propiconazole | [no description available] | low | 0 | 0 | conazole fungicide;
cyclic ketal;
dichlorobenzene;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
| metazachlor | [no description available] | low | 0 | 0 | aromatic amide;
organochlorine compound;
pyrazoles | environmental contaminant;
herbicide;
xenobiotic |
| 4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound | environmental contaminant;
herbicide;
xenobiotic |
| fenoxycarb | [no description available] | low | 0 | 0 | aromatic ether;
carbamate ester | environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic |
| metsulfuron methyl | [no description available] | low | 0 | 0 | 1,3,5-triazines;
benzoate ester;
N-sulfonylurea | environmental contaminant;
herbicide;
xenobiotic |
| pravastatin | [no description available] | low | 0 | 0 | 3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic) | anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic |
| clomazone | [no description available] | low | 0 | 0 | isoxazolidinone;
monochlorobenzenes | agrochemical;
carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
| atomoxetine | [no description available] | low | 0 | 0 | aromatic ether;
secondary amino compound;
toluenes | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic |
| aromasil | [no description available] | low | 0 | 0 | 17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic |
| gemcitabine | [no description available] | low | 0 | 0 | organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic |
| atorvastatin | [no description available] | low | 0 | 0 | aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic) | environmental contaminant;
xenobiotic |
| valsartan | [no description available] | low | 0 | 0 | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| prosulfocarb | [no description available] | low | 0 | 0 | benzenes;
monothiocarbamic ester | environmental contaminant;
herbicide;
xenobiotic |
| 3-iodo-2-propynylbutylcarbamate | [no description available] | low | 0 | 0 | acetylenic compound;
carbamate ester;
carbamate fungicide;
organoiodine compound | antifungal agrochemical;
environmental contaminant;
xenobiotic |
| oseltamivir | [no description available] | low | 0 | 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 |
| iopamidol | [no description available] | low | 0 | 0 | benzenedicarboxamide;
organoiodine compound;
pentol | environmental contaminant;
radioopaque medium;
xenobiotic |
| iobitridol | [no description available] | low | 0 | 0 | benzenedicarboxamide;
hexol;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| telmisartan | [no description available] | low | 0 | 0 | benzimidazoles;
biphenyls;
carboxybiphenyl | angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic |
| perfluorohexanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | environmental contaminant;
xenobiotic |
| perfluorododecanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | environmental contaminant |
| perfluoro-n-heptanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | environmental contaminant;
xenobiotic |
| acamprosate | [no description available] | low | 0 | 0 | acetamides;
organosulfonic acid | environmental contaminant;
neurotransmitter agent;
xenobiotic |
| trichlorosucrose | [no description available] | low | 0 | 0 | disaccharide derivative;
organochlorine compound | environmental contaminant;
sweetening agent;
xenobiotic |
| nicosulfuron | [no description available] | low | 0 | 0 | N-sulfonylurea;
pyridines;
pyrimidines | environmental contaminant;
herbicide;
xenobiotic |
| prochloraz | [no description available] | low | 0 | 0 | amide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
| thifensulfuron methyl | [no description available] | low | 0 | 0 | 1,3,5-triazines;
methyl ester;
N-sulfonylurea;
thiophenes | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| flusilazole | [no description available] | low | 0 | 0 | conazole fungicide;
monofluorobenzenes;
organosilicon compound;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
| perfluoropentanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | environmental contaminant;
xenobiotic |
| 1-benzylpiperazine | [no description available] | low | 0 | 0 | N-alkylpiperazine | environmental contaminant;
psychotropic drug;
serotonergic agonist;
xenobiotic |
| perfluoroundecanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | environmental contaminant;
xenobiotic |
| sulfluramid | [no description available] | low | 0 | 0 | sulfonamide | acaricide;
environmental contaminant;
insecticide;
xenobiotic |
| clarithromycin | [no description available] | low | 0 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic |
| spiroxamine | [no description available] | low | 0 | 0 | dioxolane;
spiroketal;
tertiary amino compound | antifungal agrochemical;
environmental contaminant;
sterol biosynthesis inhibitor;
xenobiotic |
| difenoconazole | [no description available] | low | 0 | 0 | aromatic ether;
conazole fungicide;
cyclic ketal;
dioxolane;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
| dimethomorph | [no description available] | low | 0 | 0 | mixture;
morpholine fungicide | antifungal agrochemical;
environmental contaminant;
xenobiotic |
| cyprodinil | [no description available] | low | 0 | 0 | aminopyrimidine;
anilinopyrimidine fungicide;
cyclopropanes;
secondary amino compound | antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic |
| imidacloprid | [no description available] | low | 0 | 0 | imidacloprid;
imidazolidines;
monochloropyridine | environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic |
| foe 5043 | [no description available] | low | 0 | 0 | aromatic amide;
monofluorobenzenes;
thiadiazoles | environmental contaminant;
herbicide;
xenobiotic |
| irgarol 1051 | [no description available] | low | 0 | 0 | aryl sulfide;
cyclopropanes;
diamino-1,3,5-triazine | antifouling biocide;
environmental contaminant;
xenobiotic |
| pyrimethanil | [no description available] | low | 0 | 0 | aminopyrimidine;
anilinopyrimidine fungicide;
secondary amino compound | antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic |
| kathon 930 | [no description available] | low | 0 | 0 | 1,2-thiazoles;
organochlorine compound | environmental contaminant;
fungicide;
xenobiotic |
| fluazinam | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound | allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic |
| teflubenzuron | [no description available] | low | 0 | 0 | dichlorobenzene;
difluorobenzene;
N-acylurea | environmental contaminant;
insecticide;
xenobiotic |
| diflufenican | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
pyridinecarboxamide | carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
| sulcotrione | [no description available] | low | 0 | 0 | aromatic ketone;
beta-triketone;
cyclohexanones;
sulfone | carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
| tebufenozide | [no description available] | low | 0 | 0 | carbohydrazide | ecdysone agonist;
environmental contaminant;
xenobiotic |
| dpx e9636 | [no description available] | low | 0 | 0 | aromatic ether;
N-sulfonylurea;
pyridines;
pyrimidines;
sulfone | environmental contaminant;
herbicide;
xenobiotic |
| methoxyfenozide | [no description available] | low | 0 | 0 | carbohydrazide;
monomethoxybenzene | environmental contaminant;
insecticide;
xenobiotic |
| thiamethoxam | [no description available] | low | 0 | 0 | 1,3-thiazoles;
2-nitroguanidine derivative;
organochlorine compound;
oxadiazane | antifeedant;
carcinogenic agent;
environmental contaminant;
neonicotinoid insectide;
xenobiotic |
| thiacloprid | [no description available] | low | 0 | 0 | monochloropyridine;
nitrile;
thiazolidines | environmental contaminant;
neonicotinoid insectide;
xenobiotic |
| aspartame | [no description available] | low | 0 | 0 | carboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester | apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic |
| naproxen | [no description available] | low | 0 | 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 |
| mesotrione | [no description available] | low | 0 | 0 | aromatic ketone;
beta-triketone;
C-nitro compound;
sulfone | carotenoid biosynthesis inhibitor;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
| dronedarone | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
environmental contaminant;
xenobiotic |
| pinoxaden | [no description available] | low | 0 | 0 | pivalate ester;
pyrazolooxadiazepine | agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
environmental contaminant;
proherbicide;
xenobiotic |
| 2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide | [no description available] | low | 0 | 0 | anilide fungicide;
biphenyls;
monochlorobenzenes;
pyridinecarboxamide | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
environmental contaminant;
xenobiotic |
| prizes | [no description available] | low | 0 | 0 | carboxamidine;
monochloropyridine;
nitrile | environmental contaminant;
neonicotinoid insectide;
xenobiotic |
| ritonavir | [no description available] | low | 0 | 0 | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic |
| cyanoginosin lr | [no description available] | low | 0 | 0 | microcystin | bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic |
| rosuvastatin | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide | anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic |
| mycophenolic acid | [no description available] | low | 0 | 0 | 2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic |
| zithromax | [no description available] | low | 0 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
xenobiotic |
| thiopental | [no description available] | low | 0 | 0 | barbiturates | anticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic |
| 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 |
| azoxystrobin | [no description available] | low | 0 | 0 | aryloxypyrimidine;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
methyl ester;
nitrile | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
quinone outside inhibitor;
xenobiotic |
| sitagliptin | [no description available] | low | 0 | 0 | triazolopyrazine;
trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic |
| tylosin | [no description available] | low | 0 | 0 | aldehyde;
disaccharide derivative;
enone;
leucomycin;
macrolide antibiotic;
monosaccharide derivative | allergen;
bacterial metabolite;
environmental contaminant;
xenobiotic |
| eprosartan | [no description available] | low | 0 | 0 | dicarboxylic acid;
imidazoles;
thiophenes | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| codeine | [no description available] | low | 0 | 0 | morphinane alkaloid;
organic heteropentacyclic compound | antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic |
| t-2 toxin | [no description available] | low | 0 | 0 | acetate ester;
organic heterotetracyclic compound;
trichothecene | apoptosis inducer;
cardiotoxic agent;
DNA synthesis inhibitor;
environmental contaminant;
fungal metabolite;
mycotoxin;
neurotoxin |
| levetiracetam | [no description available] | low | 0 | 0 | pyrrolidin-2-ones | anticonvulsant;
environmental contaminant;
xenobiotic |
| morphine | [no description available] | low | 0 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic |
| naltrexone | [no description available] | low | 0 | 0 | cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound | antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic |
| dextromethorphan | [no description available] | low | 0 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic |
| kresoxim-methyl | [no description available] | low | 0 | 0 | aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic |
| pyrachlostrobin | [no description available] | low | 0 | 0 | aromatic ether;
carbamate ester;
carbanilate fungicide;
methoxycarbanilate strobilurin antifungal agent;
monochlorobenzenes;
pyrazoles | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic |
| cilastatin | [no description available] | low | 0 | 0 | carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide | EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic |
| microcystin rr | [no description available] | low | 0 | 0 | microcystin;
organic molecular entity | bacterial metabolite;
environmental contaminant;
xenobiotic |
| roxithromycin | [no description available] | low | 0 | 0 | roxithromycin | environmental contaminant;
xenobiotic |
| pymetrozine | [no description available] | low | 0 | 0 | 1,2,4-triazines;
pyridines | antifeedant;
environmental contaminant;
TRPV channel modulator;
xenobiotic |
| neotame | [no description available] | low | 0 | 0 | dipeptide | environmental contaminant;
sweetening agent;
xenobiotic |
| flonicamid | [no description available] | low | 0 | 0 | nitrile;
organofluorine compound;
pyridinecarboxamide | environmental contaminant;
insecticide;
xenobiotic |
| microcystin-lf | [no description available] | low | 0 | 0 | microcystin | bacterial metabolite;
environmental contaminant;
xenobiotic |
| mephedrone | [no description available] | low | 0 | 0 | amphetamines;
aromatic ketone;
secondary amino compound | environmental contaminant;
xenobiotic |
| clothianidin | [no description available] | low | 0 | 0 | 1,3-thiazoles;
2-nitroguanidine derivative;
clothianidin;
organochlorine compound | environmental contaminant;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic |
| 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 |
| disulfiram | [no description available] | low | 0 | 0 | organic disulfide;
organosulfur acaricide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor |
| 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 |
| allyl alcohol | [no description available] | low | 0 | 0 | primary allylic alcohol;
propenol | antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite |
| ethylmercuric chloride | [no description available] | low | 0 | 0 | chlorine molecular entity;
organomercury compound | fungicide |
| tropolone | [no description available] | low | 0 | 0 | alpha-hydroxy ketone;
cyclic ketone;
enol | bacterial metabolite;
fungicide;
toxin |
| 4,6-dinitro-o-cresol | [no description available] | low | 0 | 0 | dinitrophenol acaricide;
hydroxytoluene;
nitrotoluene | dinitrophenol insecticide;
fungicide;
herbicide |
| methylene bis(thiocyanate) | [no description available] | low | 0 | 0 | thiocyanates | antibacterial agent;
fungicide |
| dehydroacetic acid | [no description available] | low | 0 | 0 | ketone;
pyran-2,4-dione | antibacterial agent;
fungicide;
plasticiser |
| 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 |
| bafilomycin a1 | [no description available] | low | 0 | 0 | cyclic hemiketal;
macrolide antibiotic;
oxanes | apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin |
| alpha-cadinol | [no description available] | low | 0 | 0 | cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol | fungicide;
plant metabolite;
volatile oil component |
| dimethyl sulfide | [no description available] | low | 0 | 0 | aliphatic sulfide | algal metabolite;
bacterial xenobiotic metabolite;
EC 3.5.1.4 (amidase) inhibitor;
Escherichia coli metabolite;
marine metabolite |
| methylene bromide | [no description available] | low | 0 | 0 | bromohydrocarbon;
bromomethanes | algal metabolite;
marine metabolite |
| methyl bromide | [no description available] | low | 0 | 0 | bromohydrocarbon;
bromomethanes;
methyl halides | algal metabolite;
fumigant insecticide;
marine metabolite |
| methyl chloride | [no description available] | low | 0 | 0 | chloromethanes;
methyl halides | marine metabolite;
mutagen;
refrigerant |
| dichloroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organochlorine compound | astringent;
marine metabolite |
| 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 |
| 2,4-di-tert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene;
phenols | antioxidant;
bacterial metabolite;
marine metabolite |
| ethylene dibromide | [no description available] | low | 0 | 0 | bromoalkane;
bromohydrocarbon | algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen |
| indole-3-carbaldehyde | [no description available] | low | 0 | 0 | heteroarenecarbaldehyde;
indole alkaloid;
indoles | bacterial metabolite;
human xenobiotic metabolite;
marine metabolite;
plant metabolite |
| dibromoacetic acid | [no description available] | low | 0 | 0 | 2-bromocarboxylic acid;
monocarboxylic acid | apoptosis inducer;
geroprotector;
marine metabolite |
| dimethylpropiothetin | [no description available] | low | 0 | 0 | sulfonium betaine | marine metabolite;
osmolyte |
| 4-amino-2,6-dinitrotoluene | [no description available] | low | 0 | 0 | amino-nitrotoluene | explosive;
fungal xenobiotic metabolite;
marine metabolite |
| 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 |
| norsalsolinol | [no description available] | low | 0 | 0 | isoquinolinol | animal metabolite;
apoptosis inducer;
human metabolite;
marine metabolite |
| norharman | [no description available] | low | 0 | 0 | beta-carbolines;
mancude organic heterotricyclic parent | fungal metabolite;
marine metabolite |
| viridicatin | [no description available] | low | 0 | 0 | hydroxyquinoline | antibacterial agent;
Aspergillus metabolite;
marine metabolite;
Penicillium metabolite |
| orsellinic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid;
resorcinols | fungal metabolite;
marine metabolite;
metabolite |
| beta-aminoglutaric acid | [no description available] | low | 0 | 0 | dicarboxylic acid | algal metabolite;
marine metabolite |
| caldopentamine | [no description available] | low | 0 | 0 | polyazaalkane;
primary amino compound;
secondary amino compound | marine metabolite |
| n-acetyldopamine | [no description available] | low | 0 | 0 | acetamides;
catechols;
N-(fatty acyl)-dopamine;
secondary carboxamide | human urinary metabolite;
marine metabolite |
| arsenocholine | [no description available] | low | 0 | 0 | arsonium ion;
organoarsenic compound | human urinary metabolite;
marine metabolite;
xenobiotic |
| geographutoxin i | [no description available] | low | 0 | 0 | organic heterotricyclic compound | marine metabolite |
| 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 |
| 11-hydroxytestosterone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid | bacterial xenobiotic metabolite;
human xenobiotic metabolite;
marine metabolite |
| echinuline | [no description available] | low | 0 | 0 | 2,5-diketopiperazines;
indole alkaloid;
indoles;
olefinic compound | Aspergillus metabolite;
marine metabolite;
plant metabolite |
| n-acetyltyramine | [no description available] | low | 0 | 0 | acetamides;
tyramines | animal metabolite;
Aspergillus metabolite;
bacterial metabolite;
marine metabolite;
quorum sensing inhibitor |
| ovothiol c | [no description available] | low | 0 | 0 | aryl thiol;
L-alpha-amino acid zwitterion;
L-histidine derivative | antioxidant;
marine metabolite;
radical scavenger |
| ovothiol a | [no description available] | low | 0 | 0 | aryl thiol;
L-alpha-amino acid zwitterion;
L-histidine derivative;
non-proteinogenic L-alpha-amino acid | antioxidant;
marine metabolite;
radical scavenger |
| 6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene | [no description available] | low | 0 | 0 | monoterpenoid;
organobromine compound;
organochlorine compound | algal metabolite;
antineoplastic agent;
marine metabolite |
| n-palmitoylglycine | [no description available] | low | 0 | 0 | fatty amide;
N-acylglycine 16:0 | human metabolite;
marine metabolite |
| altritol | [no description available] | low | 0 | 0 | hexitol | algal metabolite;
marine metabolite |
| allocholic acid | [no description available] | low | 0 | 0 | 12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
allo-bile acid;
C24-steroid | human metabolite;
marine metabolite;
rat metabolite |
| deferrioxamine e | [no description available] | low | 0 | 0 | cyclic desferrioxamine;
cyclic hydroxamic acid;
macrocycle | antineoplastic agent;
bacterial metabolite;
marine metabolite;
siderophore |
| 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 |
| fonsecin | [no description available] | low | 0 | 0 | aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols | Aspergillus metabolite;
marine metabolite |
| adrenosterone | [no description available] | low | 0 | 0 | 11-oxo steroid;
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid | androgen;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite;
marine metabolite |
| bromodeoxytopsentin | [no description available] | low | 0 | 0 | aromatic ketone;
bromoindole;
imidazoles;
indole alkaloid | antibacterial agent;
EC 2.7.1.40 (pyruvate kinase) inhibitor;
marine metabolite |
| okadaic acid | [no description available] | low | 0 | 0 | polycyclic ether | calcium ionophore;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
marine metabolite |
| gamma-sitosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols | marine metabolite;
plant metabolite |
| epipinoresinol | [no description available] | low | 0 | 0 | pinoresinol | marine metabolite;
plant metabolite |
| adefovir | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
organooxygen heterocyclic antibiotic;
polyphenol | antimalarial;
Aspergillus metabolite;
marine metabolite |
| bryostatin 1 | [no description available] | low | 0 | 0 | acetate ester;
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol | alpha-secretase activator;
anti-HIV-1 agent;
antineoplastic agent;
marine metabolite;
protein kinase C agonist |
| antheraxanthin | [no description available] | low | 0 | 0 | epoxycarotenol | biological pigment;
marine metabolite;
plant metabolite |
| echinenone | [no description available] | low | 0 | 0 | carotenone | animal metabolite;
bacterial metabolite;
cofactor;
marine 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 |
| domoic acid | [no description available] | low | 0 | 0 | L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid | algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin |
| 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 |
| 4-hydroxyretinal | [no description available] | low | 0 | 0 | enal;
retinoid;
secondary allylic alcohol | marine metabolite |
| tetrodotoxin | [no description available] | low | 0 | 0 | azatetracycloalkane;
oxatetracycloalkane;
quinazoline alkaloid | animal metabolite;
bacterial metabolite;
marine metabolite;
neurotoxin;
voltage-gated sodium channel blocker |
| pectenotoxin 2 | [no description available] | low | 0 | 0 | polycyclic ether;
spiroketal | marine metabolite |
| pectenotoxin 1 | [no description available] | low | 0 | 0 | polycyclic ether;
spiroketal | marine metabolite |
| bryostatin 2 | [no description available] | low | 0 | 0 | bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol | antineoplastic agent;
marine metabolite;
protein kinase C agonist |
| manumycin | [no description available] | low | 0 | 0 | enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol | antiatherosclerotic agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
marine metabolite |
| pectenotoxin 6 | [no description available] | low | 0 | 0 | polycyclic ether;
spiroketal | marine metabolite |
| meso-zeaxanthin | [no description available] | low | 0 | 0 | carotenol | anti-inflammatory agent;
antioxidant;
human xenobiotic metabolite;
marine metabolite |
| manzamine a | [no description available] | low | 0 | 0 | alkaloid;
beta-carbolines;
isoquinolines | animal metabolite;
anti-HSV-1 agent;
antimalarial;
antineoplastic agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
marine metabolite |
| laulimalide | [no description available] | low | 0 | 0 | carboxylic ester;
epoxide;
macrolide;
secondary alcohol;
secondary allylic alcohol | animal metabolite;
antimitotic;
antineoplastic agent;
marine metabolite;
microtubule-stabilising agent |
| Ala-Lys | [no description available] | low | 0 | 0 | dipeptide | marine metabolite |
| cyclo(leucyl-prolyl) | [no description available] | low | 0 | 0 | dipeptide;
homodetic cyclic peptide;
pyrrolopyrazine | bacterial metabolite;
marine metabolite |
| dolastatin 10 | [no description available] | low | 0 | 0 | 1,3-thiazoles;
tetrapeptide | animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent |
| plitidepsin | [no description available] | low | 0 | 0 | didemnin | anticoronaviral agent;
antineoplastic agent;
marine metabolite |
| jasplakinolide | [no description available] | low | 0 | 0 | cyclodepsipeptide;
phenols | actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent |
| dysiherbaine | [no description available] | low | 0 | 0 | amino dicarboxylic acid;
furopyran;
hydroxy carboxylic acid;
secondary amino compound | animal metabolite;
excitatory amino acid agonist;
marine metabolite;
neurotoxin |
| 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 |
| emindole SB | [no description available] | low | 0 | 0 | terpenoid indole alkaloid | Aspergillus metabolite;
marine metabolite;
Penicillium metabolite |
| dysidenin | [no description available] | low | 0 | 0 | 1,3-thiazoles;
organochlorine compound;
secondary carboxamide;
tertiary carboxamide | animal metabolite;
marine metabolite;
toxin |
| pateamine a | [no description available] | low | 0 | 0 | 1,3-thiazoles;
macrodiolide;
olefinic compound;
primary amino compound;
tertiary amino compound | antineoplastic agent;
antiviral agent;
eukaryotic initiation factor 4F inhibitor;
marine metabolite |
| 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 |
| jaspamide b | [no description available] | low | 0 | 0 | cyclodepsipeptide;
organobromine compound | animal metabolite;
antineoplastic agent;
marine metabolite |
| massadine | [no description available] | low | 0 | 0 | alkaloid;
guanidines;
organobromine compound;
pyrrolecarboxamide | animal metabolite;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor;
marine metabolite |
| iejimalide b | [no description available] | low | 0 | 0 | ether;
formamides;
macrolide | antineoplastic agent;
marine metabolite |
| vibrioferrin | [no description available] | low | 0 | 0 | carboxylic ester;
N-acyl hemiaminal;
pyrrolidin-2-ones;
tertiary alcohol;
tricarboxylic acid | marine metabolite;
siderophore |
| neodysiherbaine a | [no description available] | low | 0 | 0 | amino dicarboxylic acid;
diol;
furopyran;
hydroxy carboxylic acid | animal metabolite;
excitatory amino acid agonist;
marine 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 |
| vanchrobactin | [no description available] | low | 0 | 0 | catechols;
dipeptide;
guanidines;
monocarboxylic acid;
primary alcohol;
triol | bacterial metabolite;
marine metabolite;
siderophore |
| pyranonigrin a | [no description available] | low | 0 | 0 | cyclic ketone;
enol;
gamma-lactam;
pyranopyrrole;
secondary alcohol | antioxidant;
Aspergillus metabolite;
marine metabolite |
| dinophysistoxin 1 | [no description available] | low | 0 | 0 | ketal | animal metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
marine metabolite;
toxin |
| decarbamylsaxitoxin | [no description available] | low | 0 | 0 | alkaloid;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
primary alcohol;
pyrrolopurine | bacterial metabolite;
marine metabolite;
neurotoxin;
toxin;
xenobiotic |
| scalaradial | [no description available] | low | 0 | 0 | acetate ester;
carbotetracyclic compound;
dialdehyde;
enal;
scalarane sesterterpenoid | animal metabolite;
anti-inflammatory agent;
apoptosis inducer;
EC 3.1.1.4 (phospholipase A2) inhibitor;
marine metabolite;
TRP channel blocker |
| diorcinol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | fungal metabolite;
marine metabolite;
metabolite |
| marinopyrrole a | [no description available] | low | 0 | 0 | aromatic ketone;
organochlorine compound;
phenols;
pyrroles | antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite |
| papuamide b | [no description available] | low | 0 | 0 | cyclodepsipeptide;
olefinic compound;
secondary alcohol;
tertiary alcohol | anti-HIV-1 agent;
antineoplastic agent;
marine metabolite |
| dibromophakellin | [no description available] | low | 0 | 0 | alkaloid;
guanidines;
organobromine compound | alpha-adrenergic agonist;
animal metabolite;
marine metabolite |
| debromoaplysiatoxin | [no description available] | low | 0 | 0 | aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal | algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist |
| 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 |
| aplysiatoxin | [no description available] | medium | 0 | 0 | aplysiatoxins;
bromophenol;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
secondary alcohol;
spiroketal | algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist |
| gonyautoxin v | [no description available] | low | 0 | 0 | organic heterotricyclic compound;
paralytic shellfish toxin | marine metabolite |
| crambescidin 800 | [no description available] | low | 0 | 0 | alkaloid;
carboxylic ester;
guanidines;
monocarboxylic acid amide;
organic heteropentacyclic compound;
primary amino compound;
secondary alcohol;
spiro compound | anti-HIV-1 agent;
anti-HSV-1 agent;
antimalarial;
marine 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 |
| saxitoxin | [no description available] | low | 0 | 0 | alkaloid;
carbamate ester;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
pyrrolopurine | cyanotoxin;
marine metabolite;
neurotoxin;
sodium channel blocker;
toxin |
| gonyautoxin ii | [no description available] | low | 0 | 0 | organic heterotricyclic compound;
paralytic shellfish toxin | marine metabolite |
| chrysogine | [no description available] | low | 0 | 0 | cyclic amide;
quinazoline alkaloid;
quinazolines;
secondary alcohol;
secondary amide | Aspergillus metabolite;
biological pigment;
marine metabolite |
| cerulomycin | [no description available] | low | 0 | 0 | aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid | antineoplastic agent;
bacterial metabolite;
marine metabolite |
| 3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone | [no description available] | low | 0 | 0 | bromophenol;
nitrile;
pyridone | |