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diorcinol

Description

diorcinol : An aromatic ether that is diphenyl ether in which both phenyl groups are substituted at position 3 by a hydroxy group and at position 5 by a methyl group. [CHeBI]

Cross-References

ID Source	ID
PubMed CID	23396613
CHEMBL ID	2332161
CHEBI ID	64413

Synonyms (14)

Synonym
3,3'-dihydroxy-5,5'-dimethyldiphenyl ether
CHEBI:64413 ,
diorcinol
3,3'-oxybis(5-methylphenol)
CHEMBL2332161
3-(3-hydroxy-5-methyl-phenoxy)-5-methyl-phenol
Q27133269
5,5'-oxybis(3-methylphenol)
BS-1438
3-(3-hydroxy-5-methylphenoxy)-5-methylphenol
20282-75-1
DTXSID101318702
phenol, 3,3'-oxybis[5-methyl-
AKOS040735399

Roles (3)

Role	Description
metabolite	Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
fungal metabolite	Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
marine metabolite	Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.

Drug Classes (2)

Class	Description
aromatic ether	Any ether in which the oxygen is attached to at least one aryl substituent.
phenols	Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.

Bioassays (19)

Assay ID	Title	Year	Journal	Article
AID1733336	Antiproliferative activity against human A549 cells assessed as cell viability at 50 uM measured after 72 hrs by sulforhodamine B assay	2021	Bioorganic & medicinal chemistry letters, 05-01, Volume: 39ISSN: 1464-3405	Evaluation of the antiproliferative activity of 106 marine microbial metabolites against human lung cancer cells and potential antiproliferative mechanism of purpuride G.
AID1733309	Antiproliferative activity against human NCI-H157 cells assessed as reduction in cell viability measured after 72 hrs by sulforhodamine B assay	2021	Bioorganic & medicinal chemistry letters, 05-01, Volume: 39ISSN: 1464-3405	Evaluation of the antiproliferative activity of 106 marine microbial metabolites against human lung cancer cells and potential antiproliferative mechanism of purpuride G.
AID735806	Antibacterial activity against Pseudomonas putida ATCC 17848 assessed as growth inhibition	2013	Journal of natural products, Apr-26, Volume: 76, Issue:4 ISSN: 1520-6025	Bioactive indole alkaloids and phenyl ether derivatives from a marine-derived Aspergillus sp. Fungus.
AID735811	Antibacterial activity against Staphylococcus epidermidis ATCC 12228 assessed as growth inhibition	2013	Journal of natural products, Apr-26, Volume: 76, Issue:4 ISSN: 1520-6025	Bioactive indole alkaloids and phenyl ether derivatives from a marine-derived Aspergillus sp. Fungus.
AID1635219	Antibacterial activity against Bacillus subtilis 168 trpC2 by broth microdilution method	2016	Journal of natural products, Apr-22, Volume: 79, Issue:4 ISSN: 1520-6025	Metabolites from the Fungal Endophyte Aspergillus austroafricanus in Axenic Culture and in Fungal-Bacterial Mixed Cultures.
AID735803	Cytotoxicity against human HL60 cells assessed as inhibition of cell viability by MTT assay	2013	Journal of natural products, Apr-26, Volume: 76, Issue:4 ISSN: 1520-6025	Bioactive indole alkaloids and phenyl ether derivatives from a marine-derived Aspergillus sp. Fungus.
AID735810	Antibacterial activity against Staphylococcus aureus ATCC 27154 assessed as growth inhibition	2013	Journal of natural products, Apr-26, Volume: 76, Issue:4 ISSN: 1520-6025	Bioactive indole alkaloids and phenyl ether derivatives from a marine-derived Aspergillus sp. Fungus.
AID754888	Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/CB-induced superoxide generation at 10 ug/mL after 5 mins by spectrophotometric analysis relative to control	2013	Bioorganic & medicinal chemistry, Jul-01, Volume: 21, Issue:13 ISSN: 1464-3391	An epigenetic modifier enhances the production of anti-diabetic and anti-inflammatory sesquiterpenoids from Aspergillus sydowii.
AID1733337	Antiproliferative activity against human NCI-H157 cells assessed as cell viability at 50 uM measured after 72 hrs by sulforhodamine B assay	2021	Bioorganic & medicinal chemistry letters, 05-01, Volume: 39ISSN: 1464-3405	Evaluation of the antiproliferative activity of 106 marine microbial metabolites against human lung cancer cells and potential antiproliferative mechanism of purpuride G.
AID1733310	Antiproliferative activity against human A549 cells assessed as reduction in cell viability measured after 72 hrs by sulforhodamine B assay	2021	Bioorganic & medicinal chemistry letters, 05-01, Volume: 39ISSN: 1464-3405	Evaluation of the antiproliferative activity of 106 marine microbial metabolites against human lung cancer cells and potential antiproliferative mechanism of purpuride G.
AID754887	Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/CB-induced elastase release after 5 mins by spectrophotometric analysis	2013	Bioorganic & medicinal chemistry, Jul-01, Volume: 21, Issue:13 ISSN: 1464-3391	An epigenetic modifier enhances the production of anti-diabetic and anti-inflammatory sesquiterpenoids from Aspergillus sydowii.
AID735807	Antibacterial activity against Vibrio parahaemolyticus ATCC 17802 assessed as growth inhibition	2013	Journal of natural products, Apr-26, Volume: 76, Issue:4 ISSN: 1520-6025	Bioactive indole alkaloids and phenyl ether derivatives from a marine-derived Aspergillus sp. Fungus.
AID735808	Antibacterial activity against Vibrio anguillarum ATCC 19019 assessed as growth inhibition	2013	Journal of natural products, Apr-26, Volume: 76, Issue:4 ISSN: 1520-6025	Bioactive indole alkaloids and phenyl ether derivatives from a marine-derived Aspergillus sp. Fungus.
AID1434783	Antifouling activity against Bugula neritina larvae assessed as inhibition of larval settlement at 25 ug/ml after 1 hr by dissecting microscopy relative to control	2017	Bioorganic & medicinal chemistry letters, 02-15, Volume: 27, Issue:4 ISSN: 1464-3405	Anti-HSV-1, antioxidant and antifouling phenolic compounds from the deep-sea-derived fungus Aspergillus versicolor SCSIO 41502.
AID735804	Cytotoxicity against human K562 cells assessed as inhibition of cell viability by MTT assay	2013	Journal of natural products, Apr-26, Volume: 76, Issue:4 ISSN: 1520-6025	Bioactive indole alkaloids and phenyl ether derivatives from a marine-derived Aspergillus sp. Fungus.
AID754886	Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/CB-induced elastase release at 10 ug/mL after 5 mins by spectrophotometric analysis relative to control	2013	Bioorganic & medicinal chemistry, Jul-01, Volume: 21, Issue:13 ISSN: 1464-3391	An epigenetic modifier enhances the production of anti-diabetic and anti-inflammatory sesquiterpenoids from Aspergillus sydowii.
AID1434780	Antioxidant activity assessed as DPPH radical scavenging activity at 100 ug/ml after 30 mins	2017	Bioorganic & medicinal chemistry letters, 02-15, Volume: 27, Issue:4 ISSN: 1464-3405	Anti-HSV-1, antioxidant and antifouling phenolic compounds from the deep-sea-derived fungus Aspergillus versicolor SCSIO 41502.
AID1635218	Antibacterial activity against Mycobacterium tuberculosis H37Rv by broth microdilution method	2016	Journal of natural products, Apr-22, Volume: 79, Issue:4 ISSN: 1520-6025	Metabolites from the Fungal Endophyte Aspergillus austroafricanus in Axenic Culture and in Fungal-Bacterial Mixed Cultures.
AID754889	Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/CB-induced superoxide generation after 5 mins by spectrophotometric analysis	2013	Bioorganic & medicinal chemistry, Jul-01, Volume: 21, Issue:13 ISSN: 1464-3391	An epigenetic modifier enhances the production of anti-diabetic and anti-inflammatory sesquiterpenoids from Aspergillus sydowii.

Research

Studies (5)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	0 (0.00)	29.6817
2010's	4 (80.00)	24.3611
2020's	1 (20.00)	2.80

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	5 (100.00%)	84.16%

Substance	Classes	Roles	Relationship Strength
quinacrine	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor	low
vanilmandelic acid	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite	low
4-(2,4-dichlorophenoxy)butyric acid	aromatic ether; monocarboxylic acid; organochlorine compound	agrochemical; phenoxy herbicide; synthetic auxin	low
win 52035	aromatic ether		low
win 52084	aromatic ether		low
5-(nonyloxy)tryptamine	aromatic ether; primary amino compound; tryptamines	serotonergic agonist	low
methylbufotenin	aromatic ether; tertiary amino compound; tryptamine alkaloid	hallucinogen; plant metabolite	low
5-methoxytryptamine	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	low
ro 48-8071	aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound	antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor	low
rtki cpd	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector	low
amsacrine	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
aristolochic acid i	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	low
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one	aromatic ether; benzoxazine; cyclic hydroxamic acid; lactol	allelochemical; plant metabolite	low
bufetolol	aromatic ether		low
bufexamac	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
bunitrolol	aromatic ether		low
bupranolol	aromatic ether		low
verapamil	aromatic ether; nitrile; polyether; tertiary amino compound		low
cgp 12177	aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound	beta-adrenergic antagonist	low
ciglitazone	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug	low
cirazoline	aromatic ether		low
clofibrate	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist	low
clofibric acid	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist	low
colchicine, (+-)-isomer	acetamides; alkaloid; aromatic ether; carbotricyclic compound	microtubule-destabilising agent; plant metabolite	low
croconazole	aromatic ether; conazole antifungal drug; imidazole antifungal drug; monochlorobenzenes		low
cypermethrin	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide	low
racemethorphan	aromatic ether; morphinane alkaloid; morphinane-like compound; organic heterotetracyclic compound		low
dibucaine	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic	low
dilacor xr	acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound		low
domiphen	aromatic ether		low
donepezil	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent	low
epirizole	aromatic ether		low
ethacrynic acid	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic	low
ethoxyquin	aromatic ether; quinolines	antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator	low
ethoxzolamide	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor	low
2-hexyloxybenzamide	aromatic ether; benzamides	antifungal agent	low
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore	low
fenofibrate	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic	low
fenvalerate	aromatic ether; carboxylic ester; monochlorobenzenes	pyrethroid ester acaricide; pyrethroid ester insecticide	low
flecainide	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug	low
fluoxetine	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound		low
gallamine triethiodide	aromatic ether		low
gemfibrozil	aromatic ether	antilipemic drug	low
haloprogin	aromatic ether		low
indomethacin	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	low
ipriflavone	aromatic ether; isoflavones	bone density conservation agent	low
ly 171883	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist	low
mephenesin	aromatic ether; glycerol ether		low
methocarbamol	aromatic ether; carbamate ester; secondary alcohol		low
methoctramine	aromatic ether; tetramine	muscarinic antagonist	low
methoxsalen	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite	low
metoprolol	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic	low
mexiletine	aromatic ether; primary amino compound	anti-arrhythmia drug	low
midodrine	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent	low
clorgyline	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor	low
nefazodone	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor	low
nimesulide	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug	low
nisoxetine	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant	low
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor	low
omeprazole	aromatic ether; benzimidazoles; pyridines; sulfoxide		low
oxprenolol	aromatic ether		low
pantoprazole	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic	low
pd 153035	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	low
pentamidine	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic	low
phenacetin	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug	low
pioglitazone	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic	low
piretanide	aromatic ether		low
pramoxine	aromatic ether; morpholines	local anaesthetic	low
prazosin	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor	low
primaquine	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial	low
proglumetacin	aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
propoxur	aromatic ether; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
pyrilamine	aromatic ether; ethylenediamine derivative	H1-receptor antagonist	low
sulfadimethoxine	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic	low
tetrahydropapaverine	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound		low
tilorone	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist	low
ultram	aromatic ether; tertiary alcohol; tertiary amino compound		low
triclosan	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	low
viloxazine	aromatic ether		low
wb 4101	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist	low
3,3',5-triiodothyropropionic acid	aromatic ether		low
methacetin	acetamides; aromatic ether		low
mestranol	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen	low
visnagin	aromatic ether; furanochromone; polyketide	anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent	low
2-tert-butyl-4-hydroxyanisole	aromatic ether; phenols		low
mecoprop	aromatic ether; monocarboxylic acid; monochlorobenzenes		low
phenetidine	aromatic ether; substituted aniline		low
2-methyl-4-chlorophenoxy gamma-butyric acid	aromatic ether; monocarboxylic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; xenobiotic	low
4-bromophenyl phenyl ether	aromatic ether; organobromine compound		low
di-(4-aminophenyl)ether	aromatic ether		low
phenyl ether	aromatic ether	plant metabolite	low
diglycidyl resorcinol ether	aromatic ether		low
phenetole	aromatic ether		low
scoparone	aromatic ether; coumarins	anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite	low
dimethoxyphenylethylamine	alkaloid; aromatic ether; phenylethylamine	allergen; plant metabolite	low
dichlorprop	aromatic ether; dichlorobenzene; monocarboxylic acid		low
3-tert-butyl-4-hydroxyanisole	aromatic ether; phenols	antioxidant; human xenobiotic metabolite	low
ethyl vanillin	aromatic ether; benzaldehydes; phenols	antioxidant; flavouring agent	low
benzethonium chloride	aromatic ether; chloride salt; quaternary ammonium salt	antibacterial agent; antifungal agent; antiseptic drug; antiviral agent; disinfectant	low
peucedanin	aromatic ether; furanocoumarin; lactone	plant metabolite	low
phenetidine	aromatic ether; primary amino compound; substituted aniline	drug metabolite	low
6-methoxybenzoxazolinone	aromatic ether; benzoxazole	antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite	low
3-anisidine	aromatic ether; substituted aniline		low
domiphen bromide	aromatic ether		low
dibrompropamidine	aromatic ether		low
4-Ethoxyphenol	aromatic ether; phenols		low
bulbocapnine	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	low
benzydamine	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug	low
xylocholine	aromatic ether		low
3-methoxycatechol	aromatic ether; catechols	G-protein-coupled receptor agonist	low
2-phenoxypropanoic acid	aromatic ether; carboxylic acid		low
6-methoxyquinoline	aromatic ether; quinolines		low
metaxalone	aromatic ether		low
heliamine	aromatic ether; diether; isoquinoline alkaloid; isoquinolines	plant metabolite	low
2,4,6-trichlorophenyl 4-nitrophenyl ether	aromatic ether; C-nitro compound; chlorobenzenes	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	low
etridiazol	aromatic ether; organochlorine compound; thiadiazole antifungal agent; thiadiazoles	antifungal agrochemical; nitrification inhibitor	low
toliprolol	aromatic ether		low
5-methoxyindoleacetic acid	aromatic ether; indole-3-acetic acids	antibacterial agent; Brassica napus metabolite; carcinogenic agent; human urinary metabolite; marine xenobiotic metabolite; rat metabolite	low
iproclozide	aromatic ether		low
phenoxyacetic acid	aromatic ether; monocarboxylic acid	allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant	low
nafenopin	aromatic ether; monocarboxylic acid		low
methyl vanillate	aromatic ether; benzoate ester; phenols	antioxidant; plant metabolite	low
5-methoxyindole-2-carboxylic acid	aromatic ether; indolecarboxylic acid	EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor; hypoglycemic agent; plant metabolite	low
2-isopropoxyphenol	aromatic ether; phenols		low
dehydroemetine	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug	low
1,2-epoxy-3-(p-nitrophenoxy)propane	aromatic ether; C-nitro compound; epoxide		low
laurolitsine	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite	low
metocurine iodide	aromatic ether		low
ac 45594	aromatic ether		low
3-phenoxybenzylalcohol	aromatic ether; benzyl alcohols	marine xenobiotic metabolite	low
devrinol	aromatic ether; monocarboxylic acid amide; naphthalenes		low
fluorodifen	aromatic ether		low
acridine half-mustard	aminoacridines; aromatic ether; organochlorine compound; secondary amino compound	mutagen	low
precocene i	aromatic ether; chromenes	plant metabolite; precocenes	low
oxadiazon	aromatic ether		low
lofexidine	aromatic ether; carboxamidine; dichlorobenzene; imidazoles	alpha-adrenergic agonist; antihypertensive agent	low
alclofenac	aromatic ether; monocarboxylic acid; monochlorobenzenes	drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
phenylglycidyl ether	aromatic ether		low
phenoxyethanol	aromatic ether; glycol ether; primary alcohol	antiinfective agent; central nervous system depressant	low
metipranolol	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist	low
silybin	aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite	low
oxamethacin	aromatic ether; hydroxamic acid; N-acylindole; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
canadine	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle		low
7-ethoxycoumarin	aromatic ether; coumarins		low
medifoxamine	aromatic ether		low
chlormethoxynil	aromatic ether		low
climbazole	aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes		low
4-hexyloxyaniline	aromatic ether; substituted aniline		low
ticrynafen	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic	low
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid	aromatic ether; dichlorobenzene; diether; monocarboxylic acid		low
bezafibrate	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic	low
oxyfluorofen	aromatic ether	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	low
triadimefon	aromatic ether; hemiaminal ether; ketone; monochlorobenzenes; triazoles		low
levobunolol	aromatic ether; cyclic ketone; propanolamine	antiglaucoma drug; beta-adrenergic antagonist	low
dichlorfop-methyl	aromatic ether; dichlorobenzene; diether; methyl ester		low
decamethrin	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide	low
triadimenol	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite	low
triclopyr	aromatic ether; chloropyridine; monocarboxylic acid	agrochemical; environmental contaminant; herbicide; xenobiotic	low
prenalterol	aromatic ether		low
st 1059	aromatic ether; primary amino compound; secondary alcohol	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent	low
paroxetine	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor	low
acifluorfen	aromatic ether; benzoic acids; C-nitro compound; monocarboxylic acid; organochlorine compound; organofluorine compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	low
bopindolol	aromatic ether; benzoate ester; methylindole; secondary amino compound		low
fenpropathrin, (+-)-isomer	aromatic ether; cyclopropanecarboxylate ester	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide	low
triflumuron	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound		low
flutolanil	(trifluoromethyl)benzenes; aromatic ether; benzamides; benzanilide fungicide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor	low
fenoxaprop ethyl	aromatic ether		low
triclabendazole	aromatic ether		low
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid	aminopyridine; aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound	environmental contaminant; herbicide; xenobiotic	low
fluvalinate	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide	low
haloxyfop	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines		low
fluazifop-butyl	aromatic ether; carboxylic ester; organofluorine compound; pyridines		low
fomesafen	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	low
fenoxycarb	aromatic ether; carbamate ester	environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic	low
quizalofop-ethyl	aromatic ether; ethyl ester; organochlorine compound; quinoxaline derivative		low
cetamolol	aromatic ether		low
atomoxetine	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic	low
methyl bensulfuron	aromatic ether; methyl ester; N-sulfonylurea; pyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide	low
itraconazole	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor	low
loxtidine	aromatic ether; piperidines; primary alcohol; triazoles	H2-receptor antagonist	low
disoxaril	aromatic ether		low
chlorimuron ethyl	aromatic ether; ethyl ester; N-sulfonylurea; organochlorine pesticide; pyrimidines; sulfamoylbenzoate	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide	low
tepoxalin	aromatic ether; hydroxamic acid; monochlorobenzenes; pyrazoles	antipyretic; apoptosis inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; immunomodulator; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
esmolol	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound		low
pioglitazone hydrochloride	aromatic ether		low
aripiprazole	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist	low
sulfametrole	aromatic ether; substituted aniline; sulfonamide antibiotic; thiadiazoles		low
propamidine	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug	low
hexamidine	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug	low
o-4-methylthymine	aromatic ether; methylthymine	human metabolite	low
fenclofenac	aromatic ether		low
tetraiodothyroacetic acid	2-halophenol; aromatic ether; iodophenol; monocarboxylic acid	apoptosis inducer; human metabolite; thyroid hormone	low
fluazuron	aromatic ether; chloropyridine; monochlorobenzenes; N-acylurea; organochlorine acaricide; organofluorine acaricide; phenylureas	acaricide; mite growth regulator	low
etiroxate	aromatic ether		low
etofamide	aromatic ether		low
d 888	aromatic ether; nitrile; tertiary amino compound	anti-arrhythmia drug; calcium channel blocker; vasodilator agent	low
esreboxetine	aromatic ether		low
guaethol	aromatic ether; phenols; volatile organic compound	flavouring agent	low
spiramide	aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; serotonergic antagonist	low
5'-nitro-2'-propoxyacetanilide	aromatic ether; C-nitro compound		low
suberosin	aromatic ether; coumarins	anticoagulant; plant metabolite	low
4-methoxyestradiol	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols	estrogen; human metabolite; rat metabolite	low
toltrazuril	aromatic ether		low
plafibride	aromatic ether		low
cinitapride	aromatic ether; C-nitro compound		low
isoscopoletin	aromatic ether; hydroxycoumarin	plant metabolite	low
ethofenprox	aromatic ether	pyrethroid ether insecticide	low
uk 68798	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker	low
hp 873	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist	low
fenoxypropazine	aromatic ether		low
fluphenacur	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organofluorine compound		low
amezinium	aromatic ether; primary arylamine; pyridazinium ion	adrenergic uptake inhibitor; antihypotensive agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; sympathomimetic agent	low
rubrofusarin	aromatic ether; benzochromenone; phenols; polyketide	biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; fungal metabolite	low
triasulfuron	1,3,5-triazines; aromatic ether; N-sulfonylurea; organochlorine compound	agrochemical; herbicide	low
dauricine	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite	low
uvaretin	aromatic ether; dihydrochalcones; polyketide; resorcinol	antineoplastic agent; plant metabolite	low
fangchinoline	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite	low
prochloraz	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	low
stictic acid	aromatic ether		low
pramoxine hydrochloride	aromatic ether		low
4-methoxybenzylamine	aralkylamino compound; aromatic ether; primary amino compound		low
xanthurenic acid 8-methyl ether	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite	low
adriamycinol	aminoglycoside; anthracycline antibiotic; aromatic ether; deoxy hexoside; p-quinones; phenols; polyol; tetracenequinones	cardiotoxic agent; drug metabolite	low
difenoconazole	aromatic ether; conazole fungicide; cyclic ketal; dioxolane; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic	low
a 8947	aromatic ether; biaryl; N-sulfonylurea; pyrazole pesticide; tetrazoles	EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide	low
thifluzamide	1,3-thiazoles; anilide fungicide; aromatic amide; aromatic ether; dibromobenzene; organofluorine compound	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor	low
ethylhydrocupreine	aromatic ether; cinchona alkaloid	EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor	low
7,8-dihydromethysticin	2-pyranones; aromatic ether		low
4,5-dimethoxy-2-nitrobenzaldehyde	aromatic ether; C-nitro compound		low
bisphenol f diglycidyl ether	aromatic ether; diarylmethane; epoxide		low
oryzemate	1,2-benzisothiazole; aromatic ether; benzothiazole fungicide; sulfone	antifungal agrochemical; plant activator	low
bitertanol	aromatic ether; biphenyls; secondary alcohol; triazoles		low
fluazifop	aromatic ether; monocarboxylic acid; organofluorine compound; pyridines		low
diflufenican	(trifluoromethyl)benzenes; aromatic ether; pyridinecarboxamide	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic	low
hexafluoron	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organochlorine insecticide; organofluorine insecticide		low
diethofencarb	aromatic ether; carbamate ester; carbanilate fungicide	antifungal agrochemical	low
pyriproxyfen	aromatic ether; pyridines	juvenile hormone mimic	low
methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate	aromatic ether; benzoate ester; diamino-1,3,5-triazine; methyl ester; N-sulfonylurea	EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide	low
dpx e9636	aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone	environmental contaminant; herbicide; xenobiotic	low
aclonifen	aromatic ether; C-nitro compound; monochlorobenzenes; primary amino compound; substituted aniline	agrochemical; carotenoid biosynthesis inhibitor; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	low
cinosulfuron	aromatic ether		low
clodinafop-propargyl	aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide	low
triflusulfuron-methyl	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	low
vestitol	aromatic ether; hydroxyisoflavans; methoxyisoflavan	anti-inflammatory agent; phytoalexin; plant metabolite	low
laudanine	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; phenols; racemate		low
cryptopleurine	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	antineoplastic agent; antiviral agent; protein synthesis inhibitor	low
6-hydroxymethylmexiletine	aromatic ether		low
4-hydroxymexiletine	aromatic ether; phenols		low
cloquintocet-mexyl	aromatic ether; carboxylic ester; organochlorine compound; quinolines		low
novaluron	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound		low
bursehernin	aromatic ether; benzodioxoles; butan-4-olide; lignan	plant metabolite	low
2,2',4,4'-tetrabromodiphenyl ether	aromatic ether; organobromine compound		low
allocryptopine	aromatic ether; cyclic acetal; cyclic ketone; dibenzazecine alkaloid; organic heterotetracyclic compound; tertiary amino compound		low
sporidesmin	aromatic ether; cyclic ketone; diketone; organic disulfide; organic heteropentacyclic compound; organochlorine compound; secondary alcohol; tertiary alcohol; tertiary amino compound	mycotoxin; Wnt signalling activator	low
syringaresinol	aromatic ether; furofuran; lignan; polyether; polyphenol	plant metabolite	low
p-methoxy-n-methylphenethylamine	aromatic ether; secondary amino compound	metabolite	low
aflatoxin q1	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human xenobiotic metabolite	low
u 73122	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor	low
cyfluthrin	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester insecticide	low
norverapamil	aromatic ether; nitrile; polyether; secondary amino compound		low
fumitremorgin a	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	mycotoxin	low
deguelin	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	low
aristolochic acid ii	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	low
tephrosin	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide	low
alpha-hydroxymetoprolol	aromatic ether		low
5-(tetradecyloxy)-2-furancarboxylic acid	aromatic ether; furoic acid	antineoplastic agent; apoptosis inducer; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; PPARalpha agonist	low
tafenoquine	(trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound		low
5-hydroxymethylomeprazole	aromatic ether; benzimidazoles; pyridines; sulfoxide	drug metabolite	low
mosapride	aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound		low
ym 12617	aromatic ether; secondary amino compound; sulfonamide		low
gefitinib	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
cgp 28392	aromatic ether		low
sodium-binding benzofuran isophthalate	1-benzofurans; aromatic ether; crown compound; tetracarboxylic acid	fluorochrome	low
garenoxacin	aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; non-steroidal anti-inflammatory drug	low
ay 25545	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
reboxetine	aromatic ether		low
b 823-08	aromatic ether		low
cyclazosin	aromatic amide; aromatic ether; furans; monocarboxylic acid amide; quinazolines; quinoxaline derivative	adenosine A2A receptor antagonist	low
ivabradine	aromatic ether; benzazepine; carbobicyclic compound; tertiary amino compound	cardiotonic drug	low
febuxostat	1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile	EC 1.17.3.2 (xanthine oxidase) inhibitor	low
marsupsin	1-benzofurans; aromatic ether; polyphenol	antilipemic drug; hypoglycemic agent; metabolite	low
6,6'-bieckol	aromatic ether; oxacycle; phlorotannin	anti-HIV-1 agent; metabolite; radical scavenger	low
xibenolol	aromatic ether		low
cicloprolol	aromatic ether		low
chs 828	aromatic ether		low
2-(4-methoxyphenoxy)propanoic acid	aromatic ether; carboxylic acid		low
moxifloxacin	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug	low
rp 73401	aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide	anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor	low
2,2',4,4',5,5'-hexabrominated diphenyl ether	aromatic ether; organobromine compound		low
varespladib	aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor	low
birb 796	aromatic ether; morpholines; naphthalenes; pyrazoles; ureas	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator	low
schizandrin b	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	low
s 23121	aromatic ether; dicarboximide; monochlorobenzenes; monofluorobenzenes; pyrroline; terminal acetylenic compound		low
acrovestone	acetophenones; aromatic ether; olefinic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite	low
corytuberine	aporphine alkaloid; aromatic ether; organic heterotetracyclic compound; polyphenol; tertiary amino compound	plant metabolite	low
actinodaphine	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	low
isohomovanillic acid	aromatic ether; phenols; phenylacetic acids	metabolite	low
3,5-diiodothyropropionic acid	aromatic ether; monocarboxylic acid; organoiodine compound; phenols		low
7,8-dihydro-5,6-dehydrokawain	2-pyranones; aromatic ether		low
4-amino-2-methoxypyrimidine	aminopyrimidine; aromatic ether; methylcytosine	metabolite	low
aristolochic acid D	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; nephrotoxin; toxin	low
myricanone	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite	low
pannarin	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite	low
aminopotentidine	aromatic ether; benzamides; guanidines; nitrile; piperidines; substituted aniline	H2-receptor antagonist	low
aristolochic acid c	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	low
pluviatolide	aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols	plant metabolite	low
erysodine	aromatic ether; diether; Erythrina alkaloid; organic heterotetracyclic compound; phenols	antiparasitic agent; nicotinic antagonist; phytogenic insecticide	low
erlotinib	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor	low
rubrofusarin B	aromatic ether; benzochromenone; naphtho-gamma-pyrone; phenols; polyketide	Aspergillus metabolite	low
ly 293111	aromatic ether		low
enrasentan	aromatic ether; benzodioxoles; indanes; monocarboxylic acid; monomethoxybenzene; primary alcohol	antihypertensive agent; endothelin receptor antagonist	low
quizalofop	aromatic ether; monocarboxylic acid; organochlorine compound; quinoxaline derivative		low
cyhalofop-butyl	aromatic ether		low
cyperin	aromatic ether		low
aflatoxin b1	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite	low
etravirine	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor	low
5-o-methyllicoricidin	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite	low
pronuciferine	aromatic ether; cyclic ketone; isoquinoline alkaloid; isoquinolines; organic heterotetracyclic compound	plant metabolite	low
dronedarone	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic	low
famoxadone	aromatic ether; carbohydrazide; oxazolidinone		low
cimicoxib	aromatic ether; imidazoles; organochlorine compound; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug	low
sorafenib	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor	low
dabuzalgron	aromatic ether; imidazoles; monochlorobenzenes; sulfonamide	alpha-adrenergic agonist	low
fonsecin	aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols	Aspergillus metabolite; marine metabolite	low
lasofoxifene	aromatic ether; N-alkylpyrrolidine; naphthols; tetralins	antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist	low
(+-)-Dihydromethysticin	2-pyranones; aromatic ether		low
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline	aromatic ether; substituted aniline		low
chondocurine (1beta)-(+-)-isomer	aromatic ether		low
1-methyl-4-prop-2-enoxy-2-pyrimidinone	aromatic ether; pyrimidone		low
noscapine	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite	low
4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile	aromatic ether; C-nitro compound		low
lariciresinol	aromatic ether; lignan; oxolanes; phenols; primary alcohol	antifungal agent; plant metabolite	low
tryptoquivaline	aromatic ether; indole alkaloid; organic heteropentacyclic compound	breast cancer resistance protein inhibitor; mycotoxin	low
2-methoxyestrone	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite	low
win 54954	aromatic ether		low
silychristin	1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger	low
cleomiscosin a	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite	low
bispyribac	aromatic ether; benzoic acids; monocarboxylic acid; pyrimidines	herbicide	low
petunidin-3-glucoside	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite	low
malvidin-3-glucoside	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite	low
dioncophylline c	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite	low
stigmatellin	aromatic ether; chromones; olefinic compound; phenols	bacterial metabolite; quinol oxidation site inhibitor	low
roflumilast	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor	low
teniposide	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
prinomastat	aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor	low
posaconazole	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug	low
gancaonin I	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; plant metabolite	low
glycyrin	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite	low
glyasperin D	aromatic ether; hydroxyisoflavans; methoxyisoflavan	plant metabolite	low
licoricidin	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite	low
egonol	1-benzofurans; aromatic ether; benzodioxoles; primary alcohol	plant metabolite	low
N-ethylharmine	aromatic ether; beta-carbolines; semisynthetic derivative	anti-HIV agent	low
pf 1163a	aromatic ether; lactam; macrolide antibiotic; secondary alcohol	antifungal agent; Penicillium metabolite	low
pf 1163b	aromatic ether; lactam; macrolide antibiotic	antifungal agent; Penicillium metabolite	low
licocoumarone	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; apoptosis inducer; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite	low
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide	aromatic ether		low
LSM-22807	aromatic ether		low
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide	aromatic ether		low
piperlactam s	alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols	anti-inflammatory agent; antioxidant; plant metabolite	low
5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one	aromatic ether		low
antofine	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite	low
xanthohumol	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite	low
2-phenoxy-N-(2-pyridinyl)butanamide	aromatic ether		low
6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	aromatic ether; pyranopyrazole		low
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide	aromatic ether		low
2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole	aromatic ether		low
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide	aromatic ether		low
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol	aromatic ether		low
3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine	aromatic ether		low
1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole	aromatic ether		low
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide	aromatic ether		low
6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	aromatic ether; pyranopyrazole		low
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone	aromatic ether		low
(1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol	aromatic ether		low
5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine	aromatic ether		low
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole	aromatic ether		low
6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole	aromatic ether; triazolothiadiazole		low
4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile	aromatic ether		low
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione	aromatic ether		low
7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one	aromatic ether		low
4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile	aromatic ether		low
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester	aromatic ether		low
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide	aromatic ether		low
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide	aromatic ether		low
5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide	aromatic ether		low
7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione	aromatic ether		low
N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester	aromatic ether		low
2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide	aromatic ether		low
1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine	aromatic ether		low
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol	aromatic ether; C-nitro compound		low
4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester	aromatic ether		low
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole	aromatic ether		low
[4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione	aromatic ether		low
5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole	aromatic ether		low
4-(4-phenylmethoxyphenyl)thiadiazole	aromatic ether		low
N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide	aromatic ether; C-nitro compound		low
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone	aromatic ether		low
4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile	aromatic ether		low
N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide	aromatic ether		low
1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea	aromatic ether		low
1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea	aromatic ether		low
1-cyclopentyl-3-(4-phenoxyphenyl)thiourea	aromatic ether		low
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide	aromatic ether		low
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide	aromatic ether		low
5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide	aromatic ether		low
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide	aromatic ether		low
N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide	aromatic ether		low
5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole	aromatic ether		low
1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole	aromatic ether		low
curcumin	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	low
1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea	aromatic ether; C-nitro compound		low
1-cyclopentyl-3-(2-phenoxyphenyl)thiourea	aromatic ether		low
N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide	aromatic ether; C-nitro compound		low
2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine	aromatic ether		low
1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea	aromatic ether; C-nitro compound		low
2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide	aromatic ether		low
2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone	aromatic ether		low
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide	aromatic ether		low
1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea	aromatic ether		low
N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide	aromatic ether		low
2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide	aromatic ether		low
4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester	aromatic ether		low
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide	aromatic ether		low
1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone	aromatic ether		low
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide	aromatic ether		low
N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide	aromatic ether		low
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide	aromatic ether		low
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide	aromatic ether		low
4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine	aromatic ether		low
4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester	aromatic ether		low
Src Inhibitor-1	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide	aromatic ether		low
2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile	aromatic ether		low
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one	aromatic ether		low
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone	aromatic ether		low
N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine	aromatic ether		low
4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione	aromatic ether		low
1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea	aromatic ether		low
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide	aromatic ether		low
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline	aromatic ether		low
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile	aromatic ether		low
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole	aromatic ether		low
4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole	aromatic ether		low
1-butyl-3-(4-phenoxyphenyl)thiourea	aromatic ether		low
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide	aromatic ether		low
2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole	aromatic ether		low
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine	aromatic ether		low
4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone	aromatic ether		low
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine	aromatic ether		low
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine	aromatic ether		low
5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole	aromatic ether		low
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine	aromatic ether		low
2-(2-bromophenoxy)-N-(2-pyridinylmethyl)acetamide	aromatic ether		low
4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde	aromatic ether		low
1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester	aromatic ether; C-nitro compound		low
5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione	aromatic ether		low
N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine	aromatic ether		low
N-butyl-4-phenoxy-1-butanamine	aromatic ether		low
N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester	aromatic ether		low
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione	aromatic ether; C-nitro compound		low
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine	aromatic ether		low
2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester	aromatic ether		low
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester	aromatic ether		low
1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine	aromatic ether		low
N4-(2-methoxyphenyl)benzene-1,4-diamine	aromatic ether; substituted aniline		low
4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester	aromatic ether		low
2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester	aromatic ether		low
1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone	aromatic ether		low
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide	aromatic ether		low
4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine	aromatic ether		low
5-(3-fluorophenoxy)-8-nitroisoquinoline	aromatic ether		low
1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine	aromatic ether		low
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide	aromatic ether		low
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate	aromatic ether		low
N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide	aromatic ether		low
1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone	aromatic ether		low
5-(benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one	aromatic ether		low
2-(4-aminophenoxy)isophthalonitrile	aromatic ether		low
N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine	aromatic ether		low
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide	aromatic ether		low
N-[5-(tert-butyl)-3-isoxazolyl]-N'-[2-(trifluoromethoxy)phenyl]urea	aromatic ether		low
6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester	aromatic ether		low
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide	aromatic ether; C-nitro compound		low
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile	aromatic ether; C-nitro compound		low
2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide	aromatic ether; C-nitro compound		low
1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol	aromatic ether		low
1-[4-(3-ethoxyphenoxy)butyl]imidazole	aromatic ether		low
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide	aromatic ether		low
1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea	aromatic ether		low
N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide	aromatic ether		low
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide	aromatic ether; C-nitro compound		low
4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide	aromatic ether		low
1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea	aromatic ether; C-nitro compound		low
2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide	aromatic ether		low
cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester	aromatic ether		low
toremifene	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator	low
dieckol	aromatic ether; oxacycle; phlorotannin	anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger	low
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine	aromatic ether		low
naproxol	aromatic ether	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
tamoxifen n-oxide	aromatic ether; tertiary amine oxide	anti-estrogen; metabolite	low
diafenthiuron	aromatic ether; thiourea acaricide; thiourea insecticide	oxidative phosphorylation inhibitor; proinsecticide	low
ospemifene	aromatic ether; organochlorine compound; primary alcohol	anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator	low
tandutinib	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
zd 6474	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor	low
adefovir	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; organooxygen heterocyclic antibiotic; polyphenol	antimalarial; Aspergillus metabolite; marine metabolite	low
3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide	aromatic ether; C-nitro compound		low
N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide	aromatic ether		low
N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide	aromatic ether		low
N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide	aromatic ether		low
6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	aromatic ether; pyranopyrazole		low
1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea	aromatic ether		low
quinoxyfen	aromatic ether; monofluorobenzenes; organochlorine compound; quinolines	antifungal agrochemical	low
nafadotride	aromatic ether; naphthalenecarboxamide; nitrile; pyrrolidines; tertiary amino compound	dopaminergic antagonist	low
1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea	aromatic ether; C-nitro compound		low
2-methyl-1,3-bis(phenylmethoxy)benzene	aromatic ether		low
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea	aromatic ether		low
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione	aromatic ether		low
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide	aromatic ether		low
5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine	aromatic ether		low
4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine	aromatic ether		low
1-[4-(2-chlorophenoxy)butyl]imidazole	aromatic ether; imidazoles; monochlorobenzenes		low
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide	aromatic ether; C-nitro compound		low
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide	aromatic ether; C-nitro compound		low
N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide	aromatic ether		low
hydroxypioglitazone	aromatic ether; pyridines; thiazolidinediones	human xenobiotic metabolite	low
sc 560	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug	low
sc-19220	aromatic ether		low
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester	aromatic ether		low
8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione	aromatic ether		low
2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester	aromatic ether		low
2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide	aromatic ether		low
2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile	aromatic ether; substituted aniline		low
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide	aromatic ether		low
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol	aromatic ether		low
3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene	aromatic ether		low
fraxin	aromatic ether; beta-D-glucoside; hydroxycoumarin	anti-inflammatory agent; hepatoprotective agent; plant metabolite	low
fraxetin	aromatic ether; hydroxycoumarin	anti-inflammatory agent; antibacterial agent; antimicrobial agent; antioxidant; apoptosis inducer; apoptosis inhibitor; Arabidopsis thaliana metabolite; hepatoprotective agent; hypoglycemic agent	low
5,6-dehydrokawain	2-pyranones; aromatic ether		low
jtk-303	aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone	HIV-1 integrase inhibitor	low
coniferin	aromatic ether; cinnamyl alcohol beta-D-glucoside; monosaccharide derivative	plant metabolite	low
daphnoretin	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite	low
kavain	2-pyranones; aromatic ether		low
methysticin	2-pyranones; aromatic ether		low
yangonin	2-pyranones; aromatic ether		low
hinokiflavone	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent	low
gentiacaulein	aromatic ether; polyphenol; xanthones	plant metabolite	low
gentisin	aromatic ether; polyphenol; xanthones	plant metabolite	low
isogentisin	aromatic ether; polyphenol; xanthones	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite	low
mangostin	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite	low
1,8-dihydroxy-3,7-dimethoxyxanthone	aromatic ether; polyphenol; xanthones	plant metabolite	low
swerchirin	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite	low
1,2,8-trihydroxy-6-methoxyxanthone	aromatic ether; polyphenol; xanthones	antioxidant; plant metabolite	low
wedelolactone	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite	low
cyhalothrin	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide	low
sofalcone	aromatic ether; chalcones; monocarboxylic acid	anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite	low
neticonazole	aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide	antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor	low
pibutidine	aromatic ether; cyclobutenones; olefinic compound; piperidines; primary amino compound; pyridines; secondary amino compound	anti-ulcer drug; H2-receptor antagonist	low
purmorphamine	aromatic ether; morpholines; purines; secondary amino compound	osteogenesis regulator; SMO receptor agonist	low
8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile	aromatic ether		low
ro 41-5253	aromatic ether; benzoic acids; sulfone; thiochromane	apoptosis inducer; retinoic acid receptor alpha antagonist	low
glycycoumarin	aromatic ether; coumarins; resorcinols	antispasmodic drug; plant metabolite	low
isoginkgetin	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite	low
neoglycyrol	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; plant metabolite	low
rhamnazin	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite	low
bosutinib	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
bw b70c	aromatic ether; hydroxamic acid; organofluorine compound; ureas	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor	low
lichexanthone	aromatic ether; phenols; xanthones	plant metabolite	low
alternariol monomethyl ether	aromatic ether; benzochromenone	antifungal agent; fungal metabolite; mycotoxin	low
decussatin	aromatic ether; phenols; xanthones	plant metabolite	low
bedaquiline	aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound	antitubercular agent; ATP synthase inhibitor	low
dimethomorph	aromatic ether; enamide; monochlorobenzenes; morpholine fungicide; tertiary carboxamide		low
benanomicin b	aromatic ether; disaccharide derivative; L-alanine derivative; polyketide; polyphenol; pradimicin; secondary alcohol		low
pradimicin b	aromatic ether; L-alanine derivative; monosaccharide derivative; polyketide; polyphenol; pradimicin; secondary alcohol		low
1,7-dihydroxy-4-methoxyxanthone	aromatic ether; phenols; xanthones	metabolite; plant metabolite	low
pradimicin a	aromatic ether; carboxylic acid; disaccharide derivative; L-alanine derivative; p-quinones; polyphenol; pradimicin; secondary alcohol		low
clodinafop	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; phenoxy herbicide	low
ici 118551	aromatic ether; indanes; secondary alcohol; secondary amino compound	beta-adrenergic antagonist	low
ochnaflavone	aromatic ether; biflavonoid; hydroxyflavone	anti-inflammatory agent; antiatherogenic agent; antibacterial agent; EC 3.1.1.4 (phospholipase A2) inhibitor; leukotriene antagonist; plant metabolite	low
3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide	aromatic ether		low
flavasperone	aromatic ether; naphtho-gamma-pyrone; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; antiviral agent; Aspergillus metabolite; marine metabolite	low
4-hydroxycordoin	aromatic ether; chalcones; polyphenol	anti-inflammatory agent; antibacterial agent; plant metabolite	low
n-feruloylserotonin	aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide	plant metabolite	low
tyrphostin ag825	aromatic ether; benzothiazoles; enamide; nitrile; organic sulfide; phenols; primary carboxamide	epidermal growth factor receptor antagonist	low
kresoxim-methyl	aromatic ether; methoxyiminoacetate strobilurin antifungal agent; methyl ester; oxime O-ether	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic	low
5-methoxy-3,6-diphenyl-1,2,4-triazine	aromatic ether		low
pyrachlostrobin	aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic	low
piericidin a	aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol	antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor	low
metrafenone	aromatic ether; aryl phenyl ketone fungicide; benzophenones; organobromine compound	antifungal agrochemical	low
2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide	(trifluoromethyl)benzenes; aromatic ether; monocarboxylic acid amide; monofluorobenzenes		low
b 43	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector	low
5-(4-phenylbutoxy)psoralen	aromatic ether; benzenes; psoralens	geroprotector; immunosuppressive agent; potassium channel blocker	low
5-ia-85380	aromatic ether		low
yunaconitine	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	low
ru 58668	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist	low
altenusin	aromatic ether; carboxybiphenyl; catechols; hydroxybiphenyls; polyphenol	antifungal agent; fungal metabolite	low
gw 501516	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist	low
bay 58-2667	aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent	low
camostat	aromatic ether; phenols		low
lenvatinib	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist	low
nsc 716970	aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound	antineoplastic agent	low
lobeglitazone	aromatic ether		low
noviflumuron	aromatic ether; benzoylurea insecticide; dichlorobenzene; organofluorine compound		low
etomoxir	aromatic ether		low
fr 148083	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor	low
9-methoxycanthin-6-one	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite	low
sb 3ct compound	aromatic ether		low
varespladib methyl	aromatic ether; benzenes; indoles; methyl ester; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug	low
dapagliflozin	aromatic ether; C-glycosyl compound; monochlorobenzenes	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor	low
naveglitazar	aromatic ether		low
tivozanib	aromatic ether		low
zm 447439	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor	low
ustiloxin b	aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide	Aspergillus metabolite; microtubule-destabilising agent; mycotoxin	low
hypothemycin	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite	low
tryprostatin a	aromatic ether; dipeptide; indole alkaloid; indoles; pyrrolopyrazine	breast cancer resistance protein inhibitor	low
cediranib	aromatic ether		low
3-iodothyronamine	aromatic ether		low
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride	aromatic ether; hydrochloride; methoxybenzenes; tertiary amino compound	antipsychotic agent; receptor modulator	low
rubraxanthone	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite	low
7,8-Dihydroyangonin	2-pyranones; aromatic ether		low
sch 51344	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent	low
ancistroealaine a	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug	low
pimavanserin	aromatic ether; monofluorobenzenes; piperidines; tertiary amino compound; ureas	5-hydroxytryptamine 2A receptor inverse agonist; antipsychotic agent; serotonergic antagonist	low
tolfenpyrad	aromatic amide; aromatic ether; organochlorine compound; pyrazole insecticide	agrochemical; antifungal agent; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor	low
SIS3 free base	aromatic ether; enamide; isoquinolines; monocarboxylic acid amide; pyrrolopyridine; tertiary carboxamide	Smad3 inhibitor	low
apixaban	aromatic ether; lactam; piperidones; pyrazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor	low
bibw 2992	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
dihydrokavain	2-pyranones; aromatic ether		low
troglitazone sulfate	aromatic ether; thiazolidinone		low
arisugacin	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite	low
saracatinib	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	low
fonsecinone a	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; polyphenol	antibacterial agent; Aspergillus metabolite	low
crenolanib	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	low
aiphanol	aromatic ether; benzodioxine; lignan; stilbenoid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor	low
nigerloxin	aromatic ether; benzamides; benzoic acids; phenols; styrenes	antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger	low
msdc-0160	aromatic ether		low
dihydroxanthohumol	aromatic ether; dihydrochalcones; polyphenol	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
PB28	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist	low
7-phloroeckol	aromatic ether; phlorotannin	antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite	low
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite	low
PDGF receptor tyrosine kinase inhibitor III	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; quinazolines; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
fluoxastrobin	aromatic ether; dioxazine; monochlorobenzenes; organofluorine compound; oxime O-ether; pyrimidines; strobilurin antifungal agent	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor	low
flumorph	aromatic ether; enamide; morpholines; organofluorine compound; tertiary carboxamide		low
regorafenib	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor	low
erastin	aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide	antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor	low
brivanib	aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist	low
fg-4592	aromatic ether; isoquinolines; N-acylglycine	EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor	low
picoxystrobin	aromatic ether; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; organofluorine compound; pyridines	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor	low
cenicriviroc	aromatic ether; benzazocine; diether; imidazoles; secondary carboxamide; sulfoxide	anti-HIV agent; anti-inflammatory agent; antirheumatic drug; chemokine receptor 2 antagonist; chemokine receptor 5 antagonist	low
mandipropamid	aromatic ether; monocarboxylic acid amide; monochlorobenzenes; terminal acetylenic compound		low
glyceryl ferulate	1-monoglyceride; aromatic ether; enoate ester; phenols	antioxidant; plant metabolite; ultraviolet filter	low
ki 8751	aromatic ether		low
ceratamine a	alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine	antimitotic; metabolite	low
azd 8931	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	low
bay94 9172	(18)F radiopharmaceutical; aromatic ether; polyether; secondary amino compound; stilbenoid; substituted aniline	radioactive imaging agent	low
olodaterol	aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent	low
dorsomorphin	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor	low
cj-042794	aromatic ether		low
hu 308	aromatic ether; bridged compound; carbobicyclic compound; primary allylic alcohol; synthetic cannabinoid	anti-inflammatory agent; antihypertensive agent; apoptosis inhibitor; bone density conservation agent; CB2 receptor agonist	low
ki11502	aromatic ether; benzamides; quinolines; thioureas	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
apremilast	aromatic ether; N-acetylarylamine; phthalimides; sulfone	non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor	low
PF-00835231	aromatic ether; indolecarboxamide; L-leucine derivative; primary alcohol; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; drug metabolite; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor	low
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
chir-265	aromatic ether		low
aminocandin	aromatic ether; echinocandin; homodetic cyclic peptide	antiinfective agent	low
zk 756326	aromatic ether		low
bay 60-6583	aminopyridine; aromatic ether; aryl sulfide; cyanopyridine; cyclopropanes; monocarboxylic acid amide	adenosine A2B receptor agonist; anti-inflammatory agent; cardioprotective agent	low
empagliflozin	aromatic ether; C-glycosyl compound; monochlorobenzenes; tetrahydrofuryl ether	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor	low
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide	aromatic ether		low
bgt226	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
n-desmethylrosiglitazone	aromatic ether		low
4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide	aromatic ether		low
verruculogen	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	Aspergillus metabolite; GABA modulator; mycotoxin; Penicillium metabolite; potassium channel blocker	low
1-O-feruloyl-beta-D-glucose	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite	low
2,2',4,5'-tetrabromodiphenyl ether	aromatic ether; organobromine compound		low
hexabromodiphenyl ether 154	aromatic ether; organobromine compound		low
bde 183	aromatic ether; organobromine compound		low
l-798106	aromatic ether; bromobenzenes; N-sulfonylcarboxamide	prostaglandin receptor antagonist	low
aflatoxin m1	aflatoxin; aromatic ether; aromatic ketone; tertiary alcohol	Aspergillus metabolite; human xenobiotic metabolite; mammalian metabolite	low
macitentan	aromatic ether; organobromine compound; pyrimidines; ring assembly; sulfamides	antihypertensive agent; endothelin receptor antagonist; orphan drug	low
CDN1163	aromatic ether; quinolines; secondary carboxamide	SERCA activator	low
e 7050	aromatic ether		low
N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide	aromatic ether		low
dafadine C	aromatic amide; aromatic ether; difluorobenzene; isoxazoles; N-acylpiperidine; pyridines	P450 inhibitor	low
dafadine B	aromatic amide; aromatic ether; isoxazoles; monochlorobenzenes; monofluorobenzenes; N-acylpiperidine; pyridines	P450 inhibitor	low
3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide	aromatic ether		low
violaceol II	aromatic ether; catechols; resorcinols	mycotoxin	low
pamapimod	aromatic amine; aromatic ether; difluorobenzene; diol; primary alcohol; pyridopyrimidine; secondary amino compound	antirheumatic drug; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
gsk690693	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
cnf 2024	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor	low
uk 453,061	aromatic ether		low
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one	aromatic ether; coumarins; pyrrolidines; tertiary amino compound		low
zm323881	aromatic ether; benzyl ether; fluorophenol; halophenol; monofluorobenzenes; organic cation; quinazolines; secondary amino compound; substituted aniline	vascular endothelial growth factor receptor antagonist	low
compound w	aromatic ether		low
2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	aromatic ether		low
interiotherin b	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite	low
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one	aromatic ether; homoisoflavonoid; polyphenol	angiogenesis modulating agent; plant metabolite	low
ph 797804	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	aromatic ether		low
2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol	aromatic ether		low
2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	aromatic ether		low
2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	aromatic ether		low
mk 5108	aromatic ether		low
lde225	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist	low
1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone	aromatic ether		low
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines	geroprotector; P450 inhibitor	low
dafadine D	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; organofluorine compound; pyridines	P450 inhibitor	low
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide	aromatic ether		low
dafadine O	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines; ring assembly	P450 inhibitor	low
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide	aromatic ether		low
pci 32765	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
florbetapir f 18	(18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline	radioactive imaging agent	low
AMG-208	aromatic ether; quinolines; triazolopyridazine	antineoplastic agent; c-Met tyrosine kinase inhibitor	low
6-methoxyspirotryprostatin b	aromatic ether; azaspiro compound; indole alkaloid; indolones	antineoplastic agent; Aspergillus metabolite	low
lucitanib	aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines	antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist	low
act-132577	aromatic ether; organobromine compound; pyrimidines; sulfamides	antihypertensive agent; drug metabolite; endothelin receptor antagonist; xenobiotic metabolite	low
cabozantinib	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor	low
poziotinib	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist	low
gsk 2126458	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent	low
gsk 1363089	aromatic ether		low
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea	aromatic ether		low
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea	aromatic ether		low
3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea	aromatic ether		low
3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea	aromatic ether		low
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide	aromatic ether		low
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea	aromatic ether		low
monepantel	(trifluoromethyl)benzenes; aromatic ether; aryl sulfide; nitrile; secondary carboxamide	anthelminthic drug; nematicide	low
an2728	aromatic ether; benzoxaborole; nitrile	antipsoriatic; non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor	low
grazoprevir	aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative	antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent	low
hordatine a	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite	low
kavain	2-pyranones; aromatic ether		low
5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone	aromatic ether		low
tak-632	(trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor	low
lrrk2-in1	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	low
quinolobactin	aromatic ether; monohydroxyquinoline; phenols; quinolinemonocarboxylic acid	bacterial metabolite; siderophore	low
AZD1979	aromatic ether; azaspiro compound; carboxamide; N-acylazetidine; oxadiazole; oxaspiro compound; oxetanes	melanin-concentrating hormone receptor antagonist	low
ML240	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent	low
aripiprazole lauroxil	aromatic ether; delta-lactam; dichlorobenzene; dodecanoate ester; N-alkylpiperazine; N-arylpiperazine; quinolone	H1-receptor antagonist; prodrug; second generation antipsychotic; serotonergic agonist	low
abt-199	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
xl765	aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
DMH1	aromatic ether; pyrazolopyrimidine; quinolines	antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor	low
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes		low
pf 4800567	aromatic ether; monochlorobenzenes; oxanes; pyrazolopyrimidine	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
propenylphosphonic acid	aromatic ether		low
abt-333	aromatic ether; naphthalenes; pyrimidone; sulfonamide	antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor	low
naloxegol	aromatic ether; organic heteropentacyclic compound; phenols; polyether; tertiary alcohol	cathartic; mu-opioid receptor antagonist	low
ceritinib	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
MK-8353	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
HG-10-102-01	aminopyrimidine; aromatic ether; monocarboxylic acid amide; morpholines; organochlorine compound; secondary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
N-[(5-methyl-2-furanyl)methylideneamino]-2-phenoxybenzamide	aromatic ether		low
saroglitazar	aromatic ether; methyl sulfide; monocarboxylic acid; pyrroles	hypoglycemic agent; PPARalpha agonist; PPARgamma agonist	low
fertaric acid	aromatic ether; cinnamate ester; dicarboxylic acid; phenols; tetraric acid derivative		low
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; tertiary alcohol; triazoles		low
pf-06463922	aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
DDR1-IN-1	(trifluoromethyl)benzenes; aromatic ether; benzamides; N-alkylpiperazine; oxindoles; secondary carboxamide	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
ldc4297	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
MLI-2	aromatic ether; cyclopropanes; indazoles; morpholines; pyrimidines; tertiary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
ap20187	aromatic ether; carboxylic ester; N-acylpiperidine; tertiary amino compound	ligand	low
methysticin	2-pyranones; aromatic ether		low
biliatresone	aromatic ether; aromatic ketone; benzodioxoles; enone; phenols	plant metabolite; toxin	low
tak 491	1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane	angiotensin receptor antagonist; antihypertensive agent; prodrug	low
azilsartan	1,2,4-oxadiazole; aromatic ether; benzimidazolecarboxylic acid	angiotensin receptor antagonist; antihypertensive agent	low
hydrazinocurcumin	aromatic ether; olefinic compound; polyphenol; pyrazoles	angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
mirodenafil	aromatic ether; N-alkylpiperazine; primary alcohol; pyrrolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent	low
cerulomycin	aldoxime; aromatic ether; bipyridines; pyridine alkaloid	antineoplastic agent; bacterial metabolite; marine metabolite	low
undecylprodigiosin	alkaloid; aromatic ether; tripyrrole	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent	low
sb-590885	aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound		low
2-[[4-(trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one	aromatic ether		low
PF-07304814	aromatic ether; indolecarboxamide; L-leucine derivative; phosphate monoester; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; prodrug	low
3-hydroxybenzyl alcohol	hydroxybenzyl alcohol; phenols	metabolite	low
4-hydroxybenzyl alcohol	benzyl alcohols; phenols	plant metabolite	low
4-hydroxyphenylacetic acid	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite	low
4-hydroxymandelic acid	2-hydroxy carboxylic acid; phenols	metabolite	low
4-vinylguaiacol	phenols	flavouring agent; pheromone; plant metabolite	low
4-hydroxyphenylglyoxylic acid	phenols		low
melilotic acid	monocarboxylic acid; phenols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite; human xenobiotic metabolite; plant metabolite	low
n-acetylserotonin	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist	low
4-hydroxyphenylpyruvic acid	2-oxo monocarboxylic acid; phenols	human metabolite	low
phenol	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite	low
vanillin	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite	low
8-hydroxy-2-(di-n-propylamino)tetralin	phenols; tertiary amino compound; tetralins	serotonergic antagonist	low
3-hydroxybenzylhydrazine	phenols		low
3-methoxytyramine	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	biomarker; human blood serum metabolite; human urinary metabolite	low
4-hydroxybenzoic acid hydrazide	carbohydrazide; phenols		low
3-hydroxy-4-methoxyphenethylamine	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	human metabolite; rat metabolite	low
4-nonylphenol	phenols	environmental contaminant	low
acetaminophen	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	low
albuterol	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic	low
amodiaquine	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	low
capsaicin	methoxybenzenes; phenols		low
chloroxylenol	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide	low
nonivamide	capsaicinoid; phenols	lachrymator	low
dienestrol	olefinic compound; phenols	xenoestrogen	low
edrophonium	phenols; quaternary ammonium ion	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor	low
etilefrine	phenols		low
fluorescite	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium	low
formoterol fumarate	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound		low
labetalol	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound		low
mesalamine	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug	low
norfenefrine	phenols		low
ns 1619	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener	low
oxymetazoline	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent	low
oxyphenbutazone	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite	low
aminosalicylic acid	aminobenzoic acid; phenols	antitubercular agent	low
phenolphthalein	phenols		low
phenolsulfonphthalein	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator	low
Phenyliodoundecynoate	benzoate ester; phenols		low
propofol	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative	low
psilocin	hydroxyindoles; phenols; tertiary amino compound; tryptamine alkaloid	drug metabolite; fungal metabolite; hallucinogen; human xenobiotic metabolite; serotonergic agonist	low
raloxifene	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator	low
resorcinol monoacetate	phenols; phenyl acetates	antibacterial agent; dermatologic drug	low
salicylamide	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic	low
salmeterol xinafoate	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound		low
salicylsalicylic acid	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
sb 202190	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
sulfobromophthalein	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye	low
phentolamine	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent	low
estrone	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite	low
17-desoxyestradiol	3-hydroxy steroid; phenolic steroid; phenols	estrogen	low
n-methyl-4-aminophenol	phenols	allergen	low
phenylephrine	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent	low
isoamyl salicylate	benzoate ester; phenols		low
glycol salicylate	phenols; primary alcohol; salicylates		low
2-isopropylphenol	phenols		low
2-sec-butylphenol	phenols		low
thymol	monoterpenoid; phenols	volatile oil component	low
2-ethylphenol	phenols		low
pyrogallol 1,3-dimethyl ether	dimethoxybenzene; phenols	plant metabolite	low
acetyleugenol	benzoate ester; phenols		low
creosol	methoxybenzenes; phenols		low
synephrine	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite	low
propylparaben	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent	low
3,4-dimethylphenol	phenols		low
2,5-xylenol	phenols	animal metabolite; volatile oil component	low
2,4-di-tert-butylphenol	alkylbenzene; phenols	antioxidant; bacterial metabolite; marine metabolite	low
sulfosalicylic acid	arenesulfonic acid; benzoic acids; phenols	metabolite	low
butylphen	phenols	allergen	low
4-isopropylphenol	phenols	flavouring agent	low
2,4-dimethylphenol	aromatic fungicide; phenols	disinfectant; volatile oil component	low
3,5-xylenol	phenols	xenobiotic metabolite	low
oxyphenisatin acetate	benzoate ester; phenols		low
bromphenol blue	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; phenols; sultone	acid-base indicator; dye; two-colour indicator	low
phenyl salicylate	benzoate ester; phenols; salicylates	ultraviolet filter	low
homosalate	benzoate ester; phenols		low
benzyl salicylate	benzoate ester; phenols		low
2-ethylhexyl salicylate	benzoate ester; phenols		low
2'-hydroxyacetophenone	monohydroxyacetophenone; phenols	flavouring agent	low
p-cresyl acetate	benzoate ester; phenols		low
3-hydroxyanisole	monomethoxybenzene; phenols		low
mequinol	methoxybenzenes; phenols	metabolite	low
ethamivan	methoxybenzenes; phenols		low
4-hydroxyphenyllactic acid	2-hydroxy carboxylic acid; phenols	bacterial metabolite; human metabolite	low
plumbagin	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite	low
topanol 354	methoxybenzenes; phenols		low
carvacrol	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component	low
phloroglucinol dimethyl ether	methoxybenzenes; phenols		low
4-hydroxyphenylethanol	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent	low
syringic acid	benzoic acids; dimethoxybenzene; phenols	plant metabolite	low
methoxyhydroxyphenylglycol	methoxybenzenes; phenols		low
paeonol	methoxybenzenes; phenols	metabolite	low
2-hydroxyphenylacetic acid	hydroxy monocarboxylic acid; phenols	human metabolite; mouse metabolite	low
2-hydroxyacetanilide	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite	low
3-ethylphenol	phenols		low
3-hydroxybenzeneacetic acid	monocarboxylic acid; phenols	human xenobiotic metabolite	low
3-hydroxyacetanilide	acetamides; phenols	non-narcotic analgesic	low
isovanillin	benzaldehydes; monomethoxybenzene; phenols	animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite	low
2-propylphenol	phenols	flavouring agent; plant metabolite	low
4-cyanophenol	phenols	EC 1.4.3.4 (monoamine oxidase) inhibitor	low
2-(2'-hydroxyphenyl)benzoxazole	1,3-benzoxazoles; phenols	geroprotector	low
ethyl n-alpha-acetyl-tyrosinate	acetamides; ethyl ester; L-tyrosine derivative; phenols		low
fenadiazole	1,3,4-oxadiazoles; biaryl; phenols	sedative	low
amylmetacresol	phenols	antiseptic drug	low
4-chloro-2-cresol	monochlorobenzenes; phenols		low
antimycin a	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide	low
isobarbaloin	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite	low
dinoterb	C-nitro compound; phenols		low
4-n-Butylphenol	phenols		low
bromoxynil	dibromobenzene; hydroxynitrile; phenols	environmental contaminant; herbicide; xenobiotic	low
2-allylphenol	phenols	antifungal agrochemical	low
4-octylphenol	phenols	metabolite; surfactant; xenoestrogen	low
3-methoxy-4-hydroxyphenylethanol	methoxybenzenes; phenols		low
acetosyringone	acetophenones; dimethoxybenzene; phenols	anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite	low
bis(4-oxyphenyl)sulfide	phenols		low
hydroxyphenytoin	imidazolidine-2,4-dione; phenols	metabolite	low
2-(2-hydroxyphenyl)benzothiazole	benzothiazoles; phenols	geroprotector	low
cue-lure	benzoate ester; phenols		low
raspberry ketone	methyl ketone; phenols	androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite	low
4-n-Pentylphenol	phenols		low
zingerone	methyl ketone; monomethoxybenzene; phenols	anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent	low
4-ethylphenol	phenols	fungal xenobiotic metabolite	low
butylated hydroxytoluene	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector	low
2,6-di-tert-butylphenol	alkylbenzene; phenols	antioxidant	low
dimethophrine	methoxybenzenes; phenols		low
4-vinyl-2,6-dimethoxyphenol	methoxybenzenes; phenols		low
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor	low
closantel	aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols		low
naxagolide	organic heterotricyclic compound; phenols; tertiary amino compound	anticonvulsant; antiparkinson drug; dopamine agonist	low
4-vinylphenol	phenols	human urinary metabolite; human xenobiotic metabolite	low
4-ethylguaiacol	methoxybenzenes; phenols		low
nelfinavir	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor	low
salicylhydroxamic acid	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug	low
cresatin	benzoate ester; phenols		low
4-trifluoromethylphenol	(trifluoromethyl)benzenes; phenols	drug metabolite; marine xenobiotic metabolite	low
3-pentadecylphenol	phenols		low
chavicol	phenols; phenylpropanoid		low
ibopamine	benzoate ester; phenols		low
2-hydroxy-4-methoxybenzaldehyde	methoxybenzenes; phenols		low
methyl syringate	benzoate ester; dimethoxybenzene; phenols	plant metabolite	low
vanitiolide	methoxybenzenes; phenols		low
tubulosine	beta-carbolines; isoquinoline alkaloid; isoquinolines; phenols; secondary amino compound; tertiary amino compound		low
2,5-di-tert-butyl-4-hydroxyanisole	methoxybenzenes; phenols		low
methyl gentisate	benzoate ester; phenols		low
4-hydroxyindole	hydroxyindoles; phenols		low
benzoyltyrosine ethyl ester	benzamides; ethyl ester; L-tyrosine derivative; phenols	chromogenic compound	low
methyl 3-(4-hydroxyphenyl)propionate	methyl ester; phenols	nitrification inhibitor; plant growth regulator	low
4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene	phenols		low
acetaminophen mercapturate	acetamides; organic sulfide; phenols; S-substituted N-acetyl-L-cysteine	drug metabolite; human urinary metabolite; rat metabolite	low
3-hydroxymandelic acid	2-hydroxy monocarboxylic acid; phenols	human metabolite	low
n-acetyltyrosine, (dl)-isomer	N-acetyl-amino acid; phenols; tyrosine derivative	human urinary metabolite	low
2-tyrosine	non-proteinogenic alpha-amino acid; phenols; phenylalanine derivative		low
2-amino-5-chlorophenol	monochlorobenzenes; phenols; primary amino compound		low
beta-peltatin	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; plant metabolite	low
alpha-peltatin	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; metabolite	low
tyrphostin 8	phenols		low
sugiol	abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols	antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger	low
gamma-glutamyltyrosine	dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide	human metabolite	low
6-paradol	ketone; monomethoxybenzene; phenols		low
2-hydroxy-5-methoxybenzaldehyde	benzaldehydes; monomethoxybenzene; phenols		low
4-(4-hydroxyphenyl)-2-butanol	phenols		low
tetrangulol	p-quinones; phenols; tetraphenes	bacterial metabolite	low
terphenyllin	dimethoxybenzene; para-terphenyl; phenols	Aspergillus metabolite; mycotoxin	low
2,3-bis(4-hydroxyphenyl)-propionitrile	nitrile; phenols	estrogen receptor agonist	low
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid	dihydroxy monocarboxylic acid; phenols	human urinary metabolite	low
sn 38	delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol	antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
ly 117018	1-benzothiophenes; aromatic ketone; N-alkylpyrrolidine; phenols	bone density conservation agent; estrogen receptor antagonist; estrogen receptor modulator	low
5-hydroxypropafenone	phenols		low
4'-hydroxydiclofenac	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite	low
3-chloro-4-hydroxyphenylacetic acid	hydroxy monocarboxylic acid; monochlorobenzenes; phenols	mammalian metabolite	low
eseroline	phenols; pyrroloindole	human xenobiotic metabolite; opioid analgesic	low
hydrangenol	dihydroisocoumarins; phenols	anti-allergic agent; plant metabolite	low
maculosin	dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine	metabolite	low
2-o-methylpyrogallol	methoxybenzenes; phenols		low
dopamine 3-o-sulfate	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite	low
estriol-16 alpha-glucuronide	17beta-hydroxy steroid; 3-hydroxy steroid; beta-D-glucosiduronic acid; phenols; steroid glucosiduronic acid	human urinary metabolite	low
emodin anthrone	anthracenone; phenols	fungal metabolite	low
4'-demethylpodophyllotoxin	furonaphthodioxole; organic heterotetracyclic compound; phenols	metabolite	low
4'-demethylepipodophyllotoxin	furonaphthodioxole; organic heterotetracyclic compound; phenols	antineoplastic agent	low
dopamine 4-o-sulfate	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite	low
rubimaillin	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite	low
desvenlafaxine	cyclohexanols; phenols; tertiary amino compound	antidepressant; drug metabolite; marine xenobiotic metabolite	low
tilivalline	indole alkaloid; indoles; phenols; pyrrolobenzodiazepine	bacterial metabolite; microtubule-stabilising agent; toxin	low
4-acetamidophenyl-2-thiophenecarboxylate	benzoate ester; phenols		low
yakuchinone-a	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
cd 437	adamantanes; monocarboxylic acid; naphthoic acid; phenols	apoptosis inducer; retinoic acid receptor gamma agonist	low
aclacinomycin	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite	low
n-methylserotonin	phenols; tryptamines	human metabolite; plant metabolite	low
endocrocin	monocarboxylic acid; phenols; trihydroxyanthraquinone	metabolite	low
sulochrin	benzophenones; carboxylic ester; phenols	metabolite	low
4-hydroxybenzyl isothiocyanate	phenols		low
4'-demethyldesoxypodophyllotoxin	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols	antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite	low
gingerdione	beta-diketone; monomethoxybenzene; phenols		low
etilefrine hydrochloride	phenols		low
8-gingerol	beta-hydroxy ketone; monomethoxybenzene; phenols		low
10-gingerol	beta-hydroxy ketone; monomethoxybenzene; phenols		low
nordihydrocapsaicin	methoxybenzenes; phenols		low
isomhpg	methoxybenzenes; phenols		low
top 53	furonaphthodioxole; gamma-lactone; organic heterotetracyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
2,5-dihydroxybenzyl alcohol	aromatic primary alcohol; phenols	antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite	low
n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide	anilide fungicide; aromatic amide; dichlorobenzene; monocarboxylic acid amide; phenols	antifungal agrochemical; EC 1.14.13.72 (methylsterol monooxygenase) inhibitor; sterol biosynthesis inhibitor	low
deferasirox	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator	low
succinobucol	benzoate ester; phenols		low
4-allyl-2,6-dimethoxyphenol	dimethoxybenzene; phenols; phenylpropanoid		low
4-(2-Amino-1,3-thiazol-4-yl)phenol	phenols		low
3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene	benzoate ester; phenols		low
maackiain	phenols; pterocarpans		low
metoprolol tartrate	alcohol; phenols		low
ferruginol	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent	low
abyssinone i	monohydroxyflavanone; phenols	apoptosis inhibitor; plant metabolite	low
abyssinone v	4'-hydroxyflavanones; phenols; trihydroxyflavanone	metabolite	low
oxyacanthine	bisbenzylisoquinoline alkaloid; isoquinolines; macrocycle; phenols; tertiary amino compound		low
agnuside	benzoate ester; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; phenols; terpene glycoside	anti-inflammatory agent; cyclooxygenase 2 inhibitor; plant metabolite; pro-angiogenic agent	low
pyochelin	monocarboxylic acid; phenols; thiazolidines	metabolite; siderophore	low
yersiniabactin	monocarboxylic acid; phenols; secondary alcohol; thiazolidines	bacterial metabolite; siderophore	low
sr 12813	organic phosphonate; phenols	pregnane X receptor agonist	low
mycophenolic acid	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	low
afimoxifene	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite	low
3-hydroxyhippuric acid	N-acylglycine; phenols	metabolite	low
aclarubicin	aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion	antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
chavibetol	methoxybenzenes; phenols		low
2-hydroxycinnamic acid	2-coumaric acid; phenols	antioxidant; metabolite	low
2'-hydroxychalcone	chalcones; phenols	anti-inflammatory agent	low
6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile	phenols		low
5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one	methoxybenzenes; phenols		low
2-methoxy-6-[[(1-propyl-5-benzimidazolyl)amino]methyl]phenol	methoxybenzenes; phenols		low
2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol	methoxybenzenes; phenols		low
acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester	benzoate ester; phenols		low
acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester	benzoate ester; phenols		low
zucapsaicin	methoxybenzenes; phenols		low
2-hydroxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester	benzoate ester; phenols		low
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester	benzoate ester; phenols		low
acetic acid [4-[(1-oxo-2-phenylethyl)amino]phenyl] ester	benzoate ester; phenols		low
2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester	benzoate ester; phenols		low
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester	benzoate ester; phenols		low
3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester	benzoate ester; phenols		low
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester	methoxybenzenes; phenols		low
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester	methoxybenzenes; phenols		low
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile	methoxybenzenes; phenols		low
2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester	benzoate ester; phenols		low
monastrol	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor	low
dezocine	phenols; primary amino compound	opioid analgesic	low
3-methoxy-4-hydroxyphenylglycol sulfate	alcohol; phenols		low
5-hydroxydiclofenac	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite	low
4-hydroxyphenethylene glycol	phenols		low
5-hydroxybenzimidazole	benzimidazoles; phenols	bacterial metabolite; human metabolite; rat metabolite	low
5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester	benzoate ester; phenols		low
n,o-didesmethylvenlafaxine	cyclohexanols; phenols; secondary amino compound	drug metabolite; marine xenobiotic metabolite	low
2-hydroxybenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester	benzoate ester; phenols		low
sb 415286	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	low
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester	benzoate ester; phenols		low
2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] ester	benzoate ester; phenols		low
3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-methylphenyl) ester	benzoate ester; phenols		low
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	phenols; pyrazoles	estrogen receptor agonist	low
6-iodonordihydrocapsaicin	methoxybenzenes; phenols		low
3-(4-hydroxyphenyl)-1-propane	4-hydroxycinnamyl alcohol; phenols; phenylpropanoid	monolignol	low
sinapaldehyde	cinnamaldehydes; dimethoxybenzene; phenols	antifungal agent; plant metabolite	low
mycophenolate mofetil	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug	low
isobutrin	beta-D-glucoside; chalcones; monosaccharide derivative; phenols	anti-inflammatory agent; hepatoprotective agent; plant metabolite	low
euxanthone	phenols; xanthones	metabolite; plant metabolite	low
shogaol	enone; monomethoxybenzene; phenols		low
4-hydroxychalcone	chalcones; phenols	antihypertensive agent; plant metabolite	low
4'-hydroxychalcone	chalcones; phenols	anti-inflammatory agent; antineoplastic agent	low
olvanil	methoxybenzenes; phenols		low
n-cinnamoyltyramine	cinnamamides; phenols; secondary carboxamide	allelochemical; antimicrobial agent; phytoalexin; platelet aggregation inhibitor	low
methyl brevifolincarboxylate	cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols	EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent	low
3-deoxysappanchalcone	chalcones; monomethoxybenzene; phenols	metabolite	low
alpha-cyano-4-hydroxycinnamic acid	monohydroxycinnamic acid; nitrile; phenols	MALDI matrix material	low
macluraxanthone b	phenols; xanthones	anti-HIV agent; antineoplastic agent; metabolite	low
flavokawain b	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite	low
alternariol	benzochromenone; phenols	EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin	low
sorbicillin	phenols		low
gamma-mangostin	phenols; xanthones	antineoplastic agent; plant metabolite; protein kinase inhibitor	low
resiniferatoxin	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist	low
su 1498	enamide; monocarboxylic acid amide; nitrile; phenols; secondary carboxamide	vascular endothelial growth factor receptor antagonist	low
eupomatenoid 6	benzofurans; phenols	anti-inflammatory agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; NF-kappaB inhibitor; plant metabolite	low
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin	organoiodine compound; phenols; tertiary amino compound; tetralins	dopamine agonist	low
monorden	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor	low
cefatrizine	amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles	antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor	low
sibiromycin	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite	low
(8)-shogaol	enone; monomethoxybenzene; phenols		low
(10)-shogaol	enone; monomethoxybenzene; phenols		low
arvanil	methoxybenzenes; phenols		low
ro 25-6981	benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound	anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist	low
3-tyrosine	hydroxyphenylalanine; L-alpha-amino acid zwitterion; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; phenols	plant metabolite	low
jasplakinolide	cyclodepsipeptide; phenols	actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent	low
capsiate	carboxylic ester; monomethoxybenzene; phenols	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite	low
tmc-95a	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor	low
topopyrone c	naphthochromene; p-quinones; phenols	antimicrobial agent; antineoplastic agent; antiviral agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; Penicillium metabolite	low
pi103	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
estin	1-benzofurans; ether; methyl ester; organochlorine compound; oxaspiro compound; phenols	Aspergillus metabolite; Penicillium metabolite	low
mdl 105725	methoxybenzenes; phenols		low
nidulalin a	methyl ester; phenols; xanthones	antimicrobial agent; antineoplastic agent; Penicillium metabolite	low
vernakalant	alcohol; phenols		low
elloramycin	alpha-L-rhamnoside; carboxylic ester; enol ether; enone; methyl ester; monosaccharide derivative; phenols; tertiary alpha-hydroxy ketone; tetracenomycin	antimicrobial agent; bacterial metabolite	low
arachidonoylserotonin	N-acylserotonin; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule	low
avenanthramide b	amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide	antineoplastic agent; apoptosis inducer; phytoalexin	low
vilanterol	benzyl alcohols; dichlorobenzene; ether; phenols; secondary amino compound	beta-adrenergic agonist; bronchodilator agent	low
lactonamycin	gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative	antibacterial agent; antimicrobial agent; metabolite	low
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one	diarylheptanoid; enone; phenols	plant metabolite	low
tmc-95b	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor	low
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one	diarylheptanoid; enone; phenols	plant metabolite	low
cardanol	phenols		low
laurinterol	organobromine compound; phenols; sesquiterpenoid	antibacterial agent; apoptosis inducer; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite	low
10-isobutyryloxy-8,9-epoxythymol isobutyrate	benzoate ester; phenols		low
diversonol	phenols; tertiary alcohol	antibacterial agent; metabolite	low
alloin	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite	low
sarpagine	indole alkaloid; phenols; primary alcohol; secondary amino compound; tertiary amino compound		low
ligstroside	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite	low
shamixanthone	cyclic ketone; phenols; pyranoxanthene	metabolite	low
siphonazole	methoxybenzenes; phenols		low
vx-770	aromatic amide; monocarboxylic acid amide; phenols; quinolone	CFTR potentiator; orphan drug	low
4-[[(4S)-3-[2-(1-adamantyl)ethyl]-2-amino-4,5-dihydroimidazol-4-yl]methyl]phenol	phenols		low
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone	methoxybenzenes; phenols		low
respirantin	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite	low
3,4-dihydroxyphenylethanol-elenolic acid dialdehyde	alcohol; phenols		low
avilamycin a	benzoate ester; cyclic acetal; dichlorobenzene; oligosaccharide derivative; ortho ester; oxaspiro compound; phenols; tertiary alpha-hydroxy ketone	antimicrobial agent; bacterial metabolite	low
cathestatin b	dicarboxylic acid monoamide; epoxide; monocarboxylic acid; phenols; primary amino compound	antimicrobial agent; cysteine protease inhibitor; Penicillium metabolite	low
bromophycolide a	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite	low
n-trans-feruloyloctopamine	methoxybenzenes; phenols		low
marinopyrrole a	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite	low
chondramide c	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite	low
debromoaplysiatoxin	aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal	algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist	low
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde	1-benzofurans; aldehyde; phenols	Aspergillus metabolite; Chaetomium metabolite; radical scavenger	low
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one	diarylheptanoid; ketone; phenols	plant metabolite	low
chondramide a	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite	low
novobiocin	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	low
ilicicolin h	aromatic ketone; carbobicyclic compound; ilicicolin; monohydroxypyridine; octahydronaphthalenes; phenols; pyridone	antimicrobial agent; mitochondrial respiratory-chain inhibitor	low
callipeltin a	cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols	anti-HIV-1 agent; antifungal agent; metabolite	low
opt 80	carboxylic ester; glycoside; macrolide antibiotic; organochlorine compound; phenols	antibacterial drug; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor	low
brasilicardin a	benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols	antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent	low
ML355	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor	low
acarbose	chondramide; indoles; organochlorine compound; phenols	antineoplastic agent; bacterial metabolite	low
pf-06687252	azabicycloalkane; enone; phenols; pyridines		low
chondramide d	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite	low
can 508	aromatic amine; monoazo compound; phenols; pyrazoles	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
nu 1025	phenols; quinazolines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
quininib	phenols; styrylquinoline	angiogenesis inhibitor	low
pp242	aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine	antineoplastic agent; mTOR inhibitor	low
dehydroluciferin	1,3-thiazolemonocarboxylic acid; benzothiazoles; biaryl; phenols	animal metabolite; luciferin	low
sotorasib	acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide	antineoplastic agent	low
tilimycin	phenols; pyrrolobenzodiazepine	alkylating agent; apoptosis inducer; bacterial metabolite; toxin	low

Substance	Classes	Roles	Relationship Strength
alpha-hydroxyglutarate	2-hydroxydicarboxylic acid; dicarboxylic fatty acid	metabolite; mouse metabolite	low
alpha-isopropylmalate	2-hydroxy carboxylic acid; 3-hydroxy carboxylic acid; dicarboxylic acid	metabolite	low
acetoacetic acid	3-oxo fatty acid; ketone body	metabolite	low
3-hydroxybenzyl alcohol	hydroxybenzyl alcohol; phenols	metabolite	low
n-carbamoyl-beta-alanine	beta-alanine derivative	metabolite; mouse metabolite	low
ethylene glycol	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin	low
acetoin	methyl ketone; secondary alpha-hydroxy ketone	metabolite	low
ammonium hydroxide	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant	low
benzyl alcohol	benzyl alcohols	antioxidant; fragrance; metabolite; solvent	low
carbon monoxide	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent	low
formic acid	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent	low
4-hydroxymandelic acid	2-hydroxy carboxylic acid; phenols	metabolite	low
aminoethylphosphonic acid	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite	low
hydrogen sulfide	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent	low
4-aminophenol	aminophenol	allergen; metabolite	low
n(1)-acetylspermidine	acetylspermidine	Escherichia coli metabolite; metabolite	low
aminocaproic acid	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite	low
dihydrouracil	pyrimidone	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite	low
dihydroxyacetone	ketotriose; primary alpha-hydroxy ketone	antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	low
dimethylamine	methylamines; secondary aliphatic amine	metabolite	low
glycolic acid	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite	low
hydantoin-5-propionic acid	imidazolidine-2,4-dione; monocarboxylic acid	metabolite; mouse metabolite	low
niacinamide	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor	low
niacin	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	low
orotic acid	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite	low
oxaloacetic acid	C4-dicarboxylic acid; oxo dicarboxylic acid	geroprotector; metabolite	low
porphobilinogen	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite	low
1-propanol	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent	low
trimethyloxamine	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte	low
6-hydroxymelatonin	acetamides; tryptamines	metabolite; mouse metabolite	low
n-acetylphenylalanine	N-acetyl-amino acid; phenylalanine derivative	antidepressant; metabolite	low
n-acetyltryptophan	N-acetyl-amino acid; tryptophan derivative	metabolite	low
arecoline	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist	low
aristolochic acid i	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	low
berberine	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker	low
dibutyl phthalate	diester; phthalate ester	EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent	low
hydroxymethyltolbutamide	benzyl alcohols; sulfonamide; ureas	metabolite	low
methyl salicylate	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite	low
myristicin	organic molecular entity	metabolite	low
phenmetrazine	morpholines	metabolite; sympathomimetic agent	low
phenylbutazone	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug	low
safrole	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite	low
2,2'-thiodiethanol	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent	low
sorbitol	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent	low
alloxan	pyrimidone	hyperglycemic agent; metabolite	low
thymidine	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite	low
glutamine	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite	low
allyl isothiocyanate	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite	low
n-methyltryptamine	tryptamine alkaloid; tryptamines	metabolite	low
4-deoxypyridoxine	hydroxymethylpyridine; methylpyridines; monohydroxypyridine	metabolite	low
cycloserine	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist	low
17-alpha-hydroxyprogesterone	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin	low
mannitol	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent	low
phenacyl bromide	acetophenones; alpha-bromoketone	metabolite	low
trichloroacetic acid	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite	low
acrylic acid	alpha,beta-unsaturated monocarboxylic acid	metabolite	low
n-methylacetamide	acetamides; monocarboxylic acid amide	metabolite	low
bis(4-hydroxyphenyl)sulfone	bisphenol; sulfone	endocrine disruptor; metabolite	low
rotenone	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin	low
7-amino-4-hydroxy-2-naphthalenesulfonic acid	aminonaphthalenesulfonic acid; naphthols	metabolite	low
methyl benzoate	benzoate ester; methyl ester	insect attractant; metabolite	low
2-dichlorobenzene	dichlorobenzene	hepatotoxic agent; metabolite	low
2,4-diaminotoluene	aminotoluene	metabolite	low
4-butyrolactone	butan-4-olide	metabolite; neurotoxin	low
sulfosalicylic acid	arenesulfonic acid; benzoic acids; phenols	metabolite	low
ethyl lactate	ethyl ester; lactate ester; secondary alcohol	metabolite	low
furaldehyde	aldehyde; furans	Maillard reaction product; metabolite	low
thiophene-2-carboxaldehyde	aldehyde; thiophenes	metabolite	low
alpha-resorcylic acid	dihydroxybenzoic acid; resorcinols	metabolite	low
methylenebis(chloroaniline)	chloroaniline	metabolite	low
2-phenylethyl acetate	acetate ester	metabolite; Saccharomyces cerevisiae metabolite	low
dibenzyl ether	benzyl ether	metabolite	low
ethyl propionate	propanoate ester	metabolite	low
citronellal	aldehyde; monoterpenoid	antifungal agent; metabolite	low
ethyl oenanthate	fatty acid ethyl ester	metabolite	low
ethyl caprylate	fatty acid ethyl ester; octanoate ester	metabolite	low
ethyl laurate	fatty acid ethyl ester	metabolite	low
acetic anhydride	acyclic carboxylic anhydride	metabolite; reagent	low
ethyl isovalerate	fatty acid ethyl ester; olefinic compound	metabolite	low
n-butyl n-butyrate	butyrate ester	metabolite	low
ethyl decanoate	decanoate ester; fatty acid ethyl ester	metabolite	low
methyl octanoate	fatty acid methyl ester; octanoate ester	metabolite	low
2-octanone	methyl ketone	metabolite	low
hexylamine	primary aliphatic amine	metabolite	low
lauric acid methyl ester	dodecanoate ester; fatty acid methyl ester	metabolite	low
octylamine	primary aliphatic amine	metabolite	low
n-decyl alcohol	decanol; primary alcohol	metabolite; pheromone; protic solvent	low
methyl palmitate	fatty acid methyl ester	metabolite	low
maltol	4-pyranones	metabolite	low
chloranil	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite	low
dibenzoylmethane	aromatic ketone; beta-diketone	antimutagen; antineoplastic agent; metabolite	low
methyl anthranilate	benzoate ester	flavouring agent; metabolite	low
benzyl acetate	acetate ester; benzyl ester	metabolite	low
ethyl acetate	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite	low
dibenzyl disulfide	organic aromatic compound; organic disulfide	metabolite	low
mequinol	methoxybenzenes; phenols	metabolite	low
gamma-resorcylic acid	dihydroxybenzoic acid	metabolite	low
kynuramine	kynurenamines; primary amino compound	metabolite	low
5-methylpyrazole-3-carboxylic acid	monocarboxylic acid; pyrazoles	metabolite	low
4-trifluoromethylaniline	(trifluoromethyl)benzenes; substituted aniline	metabolite	low
methylguanidine	guanidines	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin	low
liriodenine	alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid	antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
plumbagin	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite	low
imperatorin	psoralens	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
osthol	botanical anti-fungal agent; coumarins	metabolite	low
Dillapiole	benzodioxoles	metabolite	low
coumaran	1-benzofurans	metabolite	low
1,3-propanediol	propane-1,3-diols	metabolite; protic solvent	low
tridecanedioic acid	alpha,omega-dicarboxylic acid	metabolite	low
physcione	dihydroxyanthraquinone	anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite	low
apiole	benzodioxoles	metabolite	low
flavone	flavones	metabolite; nematicide	low
cetyl palmitate	hexadecanoate ester	metabolite	low
n-amyl butyrate	butyrate ester	metabolite	low
3-aminobutyric acid	amino acid zwitterion; beta-amino acid; monocarboxylic acid	metabolite	low
methyl lactate	lactate ester; methyl ester	metabolite	low
paeonol	methoxybenzenes; phenols	metabolite	low
2,2-dimethylbutyric acid	dimethylbutyric acid	metabolite	low
2-chloroacrylic acid	alpha,beta-unsaturated monocarboxylic acid; chlorocarboxylic acid	metabolite	low
galactitol	hexitol	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite	low
1-methyluracil	nucleobase analogue; pyrimidone	metabolite	low
2-pyrrolidone	pyrrolidin-2-ones	metabolite; polar solvent	low
n-ethylacetamide	acetamides	metabolite	low
6-methyluracil	pyrimidone	metabolite	low
3-methylglutaric acid	alpha,omega-dicarboxylic acid	metabolite	low
amyl acetate	acetate ester	metabolite	low
dibenzothiophene 5-oxide	dibenzothiophenes	metabolite	low
2-acetamidoethanethiol	acetamides	metabolite	low
2-hydroxyquinoxaline	hydroxyquinoxaline	metabolite	low
3,4-dihydroxyacetophenone	acetophenones; catechols; dihydroxyacetophenone	metabolite	low
methyl hippurate	glycine derivative; methyl ester	metabolite	low
isobarbaloin	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite	low
vincamine	alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid	antihypertensive agent; metabolite; vasodilator agent	low
methyl tert-butyl ether	ether	fuel additive; metabolite; non-polar solvent	low
4-octylphenol	phenols	metabolite; surfactant; xenoestrogen	low
dronabinol	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic	low
phenethyl isothiocyanate	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite	low
2-methoxy-1,4-naphthoquinone	1,4-naphthoquinones; enol ether	antimicrobial agent; metabolite; plant metabolite	low
aviprin	furanocoumarin	metabolite	low
hydroxyphenytoin	imidazolidine-2,4-dione; phenols	metabolite	low
squaric acid	alicyclic ketone; carbon oxoacid	metabolite	low
methyl methanethiosulfonate	sulfonic acid derivative; thiosulfonate ester	metabolite	low
arabinofuranosyluracil	N-glycosyl compound	metabolite	low
6-aminonicotinic acid	aminonicotinic acid; aminopyridine; aromatic amine	metabolite	low
mannose	D-aldohexose; D-mannose; mannopyranose	metabolite	low
2,3-hexanedione	alpha-diketone	metabolite	low
tabersonine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antineoplastic agent; metabolite	low
3,3-dimethylglutarate	alpha,omega-dicarboxylic acid	metabolite	low
raspberry ketone	methyl ketone; phenols	androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite	low
laurolitsine	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite	low
helenalin	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite	low
diethyl malate	malate ester	metabolite	low
carbendazim	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent	low
glucoheptonate	carbohydrate acid; monocarboxylic acid	metabolite	low
deslanoside	12beta-hydroxy steroid; 14beta-hydroxy steroid; cardenolide glycoside; tetrasaccharide derivative	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite	low
streptozocin	N-acylglucosamine; N-nitrosoureas	antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite	low
pedalitin	monomethoxyflavone; tetrahydroxyflavone	EC 1.17.3.2 (xanthine oxidase) inhibitor; metabolite	low
ethyl nonanoate	fatty acid ethyl ester	metabolite	low
ethyl hexanoate	fatty acid ethyl ester; hexanoate ester	metabolite	low
butyl acetate	acetate ester	metabolite	low
1,4-dioxane	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent	low
isoamyl acetate	acetate ester	metabolite; Saccharomyces cerevisiae metabolite	low
ribostamycin	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite	low
tramadol	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	low
6-pentylpyrone	2-pyranones	metabolite	low
paclitaxel	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent	low
4-methylhistamine	aralkylamino compound; imidazoles	histamine agonist; metabolite	low
perfosfamide	nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide	alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite	low
castanospermine	indolizidine alkaloid	anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite	low
pravastatin	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic	low
3-methyl-2-butenal	enal	metabolite	low
ethyl 3-hydroxybutyrate	fatty acid ethyl ester	metabolite	low
4,5-dimethyl-3-hydroxy-2(5h)-furanone	butenolide	metabolite	low
n-methylnicotinamide	pyridinecarboxamide	metabolite	low
3-aminoisobutyric acid	amino acid zwitterion; beta-amino acid	metabolite	low
platanic acid	hydroxy monocarboxylic acid; methyl ketone; pentacyclic triterpenoid	anti-HIV agent; metabolite	low
2'-deoxyuridylic acid	deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite	low
gallocatechol	gallocatechin	antioxidant; metabolite; radical scavenger	low
1-methylinosine	inosines	metabolite	low
dihydrobetulinic acid	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; antileishmanial agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite	low
bergenin	trihydroxybenzoic acid	metabolite	low
2-methoxyestradiol	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite	low
3'-cmp	cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite	low
xanthoxyletin	coumarins	metabolite	low
pinocembrin	(2S)-flavan-4-one; dihydroxyflavanone	antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent	low
orsellinic acid	dihydroxybenzoic acid; resorcinols	fungal metabolite; marine metabolite; metabolite	low
isoimperatorin	psoralens	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
rotenolone	organic molecular entity	metabolite	low
seselin	coumarins	metabolite	low
perillene	furans; monoterpenoid	fragrance; metabolite; semiochemical	low
glycine methyl ester	glycinyl ester	metabolite	low
hexadecanamide	primary fatty amide	metabolite	low
benzocyclobutene	carbobicyclic compound	metabolite	low
9-methyladenine	methyladenine	metabolite	low
n'-methyl-2-pyridone-5-carboxamide	methylpyridines; pyridinecarboxamide; pyridone	metabolite; mouse metabolite	low
1,3-dimethyluracil	pyrimidone	metabolite	low
3-methoxysalicylic acid	methoxysalicylic acid	metabolite	low
1,3-dimethyluric acid	oxopurine	metabolite	low
leucyltyrosine	dipeptide	metabolite	low
3-methylxanthine	3-methylxanthine	metabolite	low
leucyl-glycyl-glycine	tripeptide	metabolite	low
acetylleucine	L-leucine derivative; N-acetyl-L-amino acid	metabolite	low
n-benzoylalanine, (dl-ala)-isomer	alanine derivative; N-acyl-amino acid	metabolite	low
dipropylacetamide	fatty amide	geroprotector; metabolite; teratogenic agent	low
masoprocol	nordihydroguaiaretic acid	antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite	low
7-methyladenine	methyladenine	metabolite	low
acetylisoniazid	carbohydrazide	metabolite	low
illimaquinone	monohydroxy-1,4-benzoquinones; prenylquinone	metabolite	low
coptisine	alkaloid	metabolite	low
betulin	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite	low
narciclasine	phenanthridines	metabolite	low
lividomycin	lividomycins	metabolite	low
dmp 323	diazepanone; ureas	anti-HIV agent; metabolite	low
eupolauridine	naphthyridine derivative	metabolite	low
zaluzanin C	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
2-aminonicotinic acid	aminonicotinic acid; aminopyridine	metabolite	low
(-)-catechin	catechin	metabolite	low
dehydrocostus lactone	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone	antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug	low
Tormentic acid	triterpenoid	metabolite	low
pinobanksin	secondary alpha-hydroxy ketone; trihydroxyflavanone	antimutagen; antioxidant; metabolite	low
sigmoidin a	4'-hydroxyflavanones; tetrahydroxyflavanone	anti-inflammatory agent; anti-obesity agent; antibacterial agent; metabolite; radical scavenger	low
xanthosine 5'-triphosphate	purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate	Escherichia coli metabolite; metabolite; mouse metabolite	low
monotropein	beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monocarboxylic acid; monosaccharide derivative	anti-inflammatory agent; metabolite	low
glycyl-histidyl-lysine	tripeptide	chelator; hepatoprotective agent; metabolite; vulnerary	low
homoeriodictyol	3'-methoxyflavanones; 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	flavouring agent; metabolite	low
arjunolic acid	hydroxy monocarboxylic acid; pentacyclic triterpenoid	antibacterial agent; antifungal agent; antioxidant; metabolite	low
oxazolidin-2-one	carbamate ester; oxazolidinone	metabolite	low
monoethyl phthalate	ethyl ester; phthalic acid monoester	metabolite	low
methylimidazoleacetic acid	imidazoles; monocarboxylic acid	GABA agonist; metabolite	low
2-(2-aminoethyl)pyridine	aminoalkylpyridine; primary amine	histamine agonist; metabolite	low
xanthurenic acid 8-methyl ether	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite	low
methyl orsellinate	hydroxybenzoic acid	metabolite	low
2,2-di(4-methacryloxyphenyl)propane	bisphenol; enoate ester	metabolite	low
sofosbuvir	aminopyrimidine; aromatic carboxylic acid; nucleobase analogue; pyrimidone	metabolite	low
3-methyluracil	nucleobase analogue; pyrimidone	metabolite	low
1-methylcytosine	aminopyrimidine; methylcytosine; pyrimidone	metabolite	low
leucyl-alanine	dipeptide	metabolite	low
leucyl-leucyl-leucine	tripeptide	metabolite	low
3,4-dihydroxyphenylethanol	catechols; primary alcohol	antineoplastic agent; antioxidant; metabolite	low
3,7-dimethyluric acid	oxopurine	metabolite; mouse metabolite	low
alanylproline	dipeptide zwitterion; dipeptide	metabolite	low
d-biotin-d-sulfoxide	biotins; sulfoxide	metabolite	low
biotin sulfone	biotins; sulfone	metabolite	low
asperuloside	acetate ester; beta-D-glucoside; gamma-lactone; iridoid monoterpenoid; monosaccharide derivative	metabolite	low
primin	1,4-benzoquinones	allergen; antifeedant; antimicrobial agent; hapten; metabolite	low
2-(hydroxymethyl)anthraquinone	anthraquinone	metabolite	low
tyrosylleucine	dipeptide	metabolite	low
o-methylserine	L-serine derivative; non-proteinogenic L-alpha-amino acid	metabolite	low
cinchonine	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite	low
aucubin	organic molecular entity	metabolite	low
catalpol	organic molecular entity	metabolite	low
3,4-dihydroxyphenylglycol	catechols; tetrol	metabolite; mouse metabolite	low
2-methylhistamine	aralkylamino compound; imidazoles	histamine agonist; metabolite	low
2-methylhippuric acid	N-acylglycine	metabolite	low
taraxerol	pentacyclic triterpenoid; secondary alcohol	metabolite	low
alpha-peltatin	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; metabolite	low
3-acetyllupeol	organic molecular entity	metabolite	low
lupenone	triterpenoid	metabolite	low
glycyltryptophan	dipeptide	metabolite	low
monocerin	hydroxybenzoic acid	metabolite	low
propionyl-coenzyme a	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite	low
alpha-hydroxyisocaproic acid	2-hydroxy fatty acid; branched-chain fatty acid	metabolite	low
totarol	diterpenoid	metabolite	low
taraxerone	scalarane sesterterpenoid	metabolite	low
prunin protein, prunus	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative	antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite	low
uvaol	triterpenoid	metabolite	low
glycyltyrosine	dipeptide	metabolite	low
glycylleucine	dipeptide zwitterion; dipeptide	metabolite	low
alanyltyrosine	dipeptide	metabolite	low
glycyl-l-phenylalanine	dipeptide zwitterion; dipeptide	human metabolite; metabolite	low
digoxigenin-mono(digitoxoside)	cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid saponin	metabolite	low
thiazolidine-4-carboxylic acid, (r)-isomer	thiazolidinemonocarboxylic acid; thioproline	geroprotector; metabolite	low
5,6-dihydrothymine	pyrimidone	human metabolite; metabolite; mouse metabolite	low
dehydroabietic acid	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite	low
palmitone	dialkyl ketone	anticonvulsant; metabolite	low
1-methylthymine	methylthymine	metabolite	low
imidazoleacetic acid	imidazoles; monocarboxylic acid	metabolite; mouse metabolite	low
1-methylguanosine	methylguanosine	metabolite	low
alanylphenylalanine	dipeptide	metabolite	low
murrayanine	carbazoles	metabolite	low
girinimbine	carbazoles	metabolite	low
tryptophylglycine	dipeptide	metabolite	low
canthin-6-one	enone; indole alkaloid; organic heterotetracyclic compound	antimycobacterial drug; metabolite	low
glycylaspartic acid	dipeptide	metabolite	low
4-methylhippuric acid	N-acylglycine	metabolite	low
delta(9)-tetrahydrocannabinolic acid	benzochromene; diterpenoid; hydroxy monocarboxylic acid; phytocannabinoid; polyketide	anti-inflammatory agent; biomarker; metabolite; neuroprotective agent	low
3-methylhippuric acid	N-acylglycine	metabolite	low
n-glycylglutamic acid	dipeptide	metabolite	low
n-caproylglycine	N-acylglycine	metabolite	low
diosgenin	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite	low
s-2-aminoethyl cysteine	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor; metabolite; protein synthesis inhibitor	low
4-hydroxycyclophosphamide	nitrogen mustard; organochlorine compound; phosphorodiamide	alkylating agent; metabolite	low
alpha-glutamyltryptophan	dipeptide	angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite	low
malabaricone c	butanone	metabolite	low
loliolide	benzofurans	metabolite	low
tuberostemonine	alkaloid	metabolite	low
pyrrole-3-carboxylic acid	pyrrolecarboxylic acid	metabolite; Penicillium metabolite	low
histidylglycine	dipeptide	metabolite	low
histidinoalanine	dipeptide zwitterion; dipeptide	metabolite	low
cinchonidine	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite	low
quillaic acid	aldehyde; hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; metabolite	low
p-methoxy-n-methylphenethylamine	aromatic ether; secondary amino compound	metabolite	low
ecgonine methyl ester	methyl ester; tertiary amino compound; tropane alkaloid	analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug	low
n-acetylcytidine	acetamides; cytidines; secondary carboxamide	metabolite	low
4-hydroxydebrisoquin	carboxamidine; isoquinolines; secondary alcohol	metabolite	low
hypotaurine	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite	low
hc toxin	homodetic cyclic peptide; tetrapeptide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; metabolite; phytotoxin	low
epicatechin gallate	catechin; gallate ester; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
versiconal hemiacetal acetate	acetate ester; anthrafuran; lactol; palmitoyl amino acid; polyphenol	metabolite	low
selenodiglutathione	glutathione derivative; thioselenide	Escherichia coli metabolite; metabolite	low
coprine	cyclopropanes; dicarboxylic acid monoamide; L-glutamine derivative; non-proteinogenic L-alpha-amino acid	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite; mycotoxin	low
aristolochic acid ii	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	low
exp3174	biphenylyltetrazole; imidazoles; organochlorine compound	metabolite	low
ribonolactone	butan-4-olide; ribonolactone	metabolite	low
sulfamethoxazole hydroxylamine	isoxazoles; sulfonamide	allergen; metabolite	low
androsterone glucuronide	beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; metabolite; mouse metabolite	low
tephrosin	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide	low
sapintoxin d	phorbol ester; tertiary alpha-hydroxy ketone	fluorescent probe; metabolite	low
amarogentin	monosaccharide derivative; secoiridoid glycoside	EC 5.99.1.2 (DNA topoisomerase) inhibitor; metabolite	low
taraxasterol	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory agent; metabolite	low
asiatic acid	monocarboxylic acid; pentacyclic triterpenoid; triol	angiogenesis modulating agent; metabolite	low
flavoglaucin	hydroquinones	metabolite	low
1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone	benzofurans	metabolite	low
dioscin	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	low
maculosin	dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine	metabolite	low
n(4)-methylcytosine	aminopyrimidine; methylcytosine; pyrimidone	metabolite	low
n-acetylputrescine	N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine	metabolite; mouse metabolite	low
4'-demethylpodophyllotoxin	furonaphthodioxole; organic heterotetracyclic compound; phenols	metabolite	low
lysicamine	alkaloid antibiotic; oxoaporphine alkaloid	metabolite	low
celastrol	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite	low
procyanidin b2	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	antioxidant; metabolite	low
aromadedrin	4'-hydroxyflavanones; dihydroflavonols; secondary alpha-hydroxy ketone; tetrahydroxyflavanone	metabolite	low
3-methylthymine	methylthymine; pyrimidone	metabolite	low
tyrosyl-glycyl-glycine	tripeptide zwitterion; tripeptide	metabolite	low
cyclic adp-ribose	cyclic purine nucleotide; nucleotide-sugar	metabolite; ryanodine receptor agonist	low
glycylglutamine	dipeptide zwitterion; dipeptide	metabolite; protective agent	low
alanylglutamine	dipeptide zwitterion; dipeptide	metabolite	low
naadp	nicotinic acid dinucleotide	calcium channel agonist; metabolite; signalling molecule	low
procyanidin b5	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	metabolite	low
proanthocyanidin a2	hydroxyflavan; proanthocyanidin	angiogenesis modulating agent; anti-HIV agent; antioxidant; metabolite	low
dihydrosanguinarine	benzophenanthridine alkaloid	antifungal agent; metabolite	low
tetrahydrocurcumin	beta-diketone; diarylheptanoid; polyphenol	metabolite	low
eriodictyol 7-glucuronide	3'-hydroxyflavonoid; beta-D-glucosiduronic acid	EC 1.1.1.21 (aldehyde reductase) inhibitor; metabolite	low
beta-lipotropin, gln(9)-	catechols; crown compound; macrocyclic lactone	bacterial metabolite; metabolite	low
4-nitrososulfamethoxazole	isoxazoles; nitroso compound; sulfonamide	allergen; metabolite	low
protosappanin a	catechols	metabolite	low
3,3'-neotrehalosadiamine	amino disaccharide; glycosyl glycoside derivative	antimicrobial agent; metabolite	low
salvinorin a	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen	low
cyanidin	5-hydroxyanthocyanidin	antioxidant; metabolite; neuroprotective agent	low
yakuchinone-a	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
marsupsin	1-benzofurans; aromatic ether; polyphenol	antilipemic drug; hypoglycemic agent; metabolite	low
6,6'-bieckol	aromatic ether; oxacycle; phlorotannin	anti-HIV-1 agent; metabolite; radical scavenger	low
3-methylcytosine	aminopyrimidine; methylcytosine; pyrimidone	metabolite	low
eckol	phlorotannin	antioxidant; metabolite	low
procyanidin b3	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; antioxidant; EC 2.3.1.48 (histone acetyltransferase) inhibitor; metabolite	low
aclacinomycin	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite	low
phenylalanylarginine	dipeptide	metabolite	low
prolylarginine	dipeptide	metabolite	low
5-methoxytryptophan	L-alpha-amino acid zwitterion; L-tryptophan derivative	metabolite	low
phenylalanylglutamate	dipeptide	metabolite	low
aspartylglycine	dipeptide	metabolite	low
aspartylglutamate	dipeptide	metabolite	low
5-hydroxypipecolic acid	piperidinemonocarboxylic acid	metabolite	low
prolyl-tyrosine	dipeptide	metabolite	low
histidylproline	dipeptide zwitterion; dipeptide	metabolite	low
phenylalanyl-glycyl-glycine	tripeptide	metabolite	low
leucylarginine	dipeptide	metabolite	low
pendolmycin	indoles	metabolite	low
atractylenolide iii	naphthofuran	metabolite	low
malvidin	5-hydroxyanthocyanidin	biological pigment; metabolite	low
5-hydroxytryptoline	beta-carbolines	metabolite	low
perlolyrine	organic molecular entity	metabolite	low
endocrocin	monocarboxylic acid; phenols; trihydroxyanthraquinone	metabolite	low
sulochrin	benzophenones; carboxylic ester; phenols	metabolite	low
i-677	L-serine derivative; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; antineoplastic agent; metabolite	low
isohomovanillic acid	aromatic ether; phenols; phenylacetic acids	metabolite	low
4-amino-2-methoxypyrimidine	aminopyrimidine; aromatic ether; methylcytosine	metabolite	low
asimilobine	aporphine alkaloid	metabolite	low
aristolochic acid D	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; nephrotoxin; toxin	low
leukodopachrome	hydroxy monocarboxylic acid; indoles	metabolite	low
ampelopsin	dihydromyricetin; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; metabolite	low
pinusolide	diterpene lactone	metabolite	low
2,4,5-trihydroxypentanoic acid gamma-lactone	ribonolactone	metabolite	low
hydroxysitosterol	3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid	metabolite; plant metabolite	low
jolkinolide a	diterpene lactone	metabolite	low
jolkinolide b	diterpene lactone	metabolite	low
1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine	1-alkyl-sn-glycero-3-phosphocholine; lysophosphatidylcholine O-16:0	metabolite	low
isovitexin	C-glycosyl compound; trihydroxyflavone	EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
dopamine quinone	1,2-benzoquinones; primary amino compound	metabolite	low
platycodin d	triterpenoid saponin	metabolite	low
frenolicin b	benzoisochromanequinone; p-quinones	metabolite	low
4-oxopentanal	ketoaldehyde	metabolite	low
my 12-62c	monohydroxyquinoline; quinolone	antibacterial agent; iron chelator; metabolite; signalling molecule	low
3,4-dihydroxyphenylpyruvic acid	2-oxo monocarboxylic acid	metabolite	low
proximadiol	eudesmane sesquiterpenoid	metabolite	low
aristolochic acid c	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	low
phenylacetyl-coenzyme a	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite	low
taxusin	acetate ester; carbotricyclic compound; taxane diterpenoid	metabolite	low
confertin	cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide	anti-inflammatory agent; metabolite; plant metabolite	low
beta-methylcrotonylglycine	N-acylglycine	metabolite	low
tracheloside	glycoside; lignan	metabolite	low
maytenonic acid	triterpenoid	metabolite	low
procyanidin C1	hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; lipoxygenase inhibitor; metabolite	low
3-methyleneindolenine	indoles	metabolite	low
isopulegol	p-menthane monoterpenoid	metabolite	low
kadsurin	tannin	metabolite	low
lysylproline	dipeptide	metabolite	low
5-o-methylembelin	enol ether; monohydroxy-1,4-benzoquinones	antileishmanial agent; antineoplastic agent; hepatitis C protease inhibitor; metabolite	low
dihydrodaidzein	hydroxyisoflavanone	metabolite	low
4'-o-methylepigallocatechin	catechin	metabolite	low
corynoline	benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol	antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite	low
limonin	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component	low
dichamanetin	diarylheptanoid	metabolite	low
brevianamide f	dipeptide; indoles; pyrrolopyrazine	metabolite	low
ergolide	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite	low
4-sulfocatechol	dihydroxybenzenesulfonic acid	metabolite	low
histidylleucine	dipeptide zwitterion; dipeptide	metabolite	low
7-methoxyheptaphylline	carbazoles	metabolite	low
phenylalanylserine	dipeptide	metabolite	low
phellamurin	4'-hydroxyflavanones; beta-D-glucoside; dihydroflavonols; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	metabolite	low
prolylglutamic acid	dipeptide	metabolite	low
nantenine	oxoaporphine alkaloid	metabolite	low
hydrastine	isoquinolines	metabolite	low
butyrylcarnitine	O-butanoylcarnitine; saturated fatty acyl-L-carnitine	metabolite	low
2-hydroxyestradiol	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug	low
aromaticin	cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; metabolite; plant metabolite	low
acivicin	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	low
n-methylcorydaldine	quinolone	metabolite	low
2-amino-3,3-dimethylbutanoic acid	non-proteinogenic alpha-amino acid	metabolite	low
pentabromopseudilin	pyrroles	metabolite	low
rocaglamide	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite	low
dentatin	coumarins	metabolite	low
acronine	acridone derivatives; alkaloid	antineoplastic agent; metabolite	low
enmein	delta-lactone	metabolite	low
5-aminonicotinic acid	aminonicotinic acid; aminopyridine; aromatic amine	metabolite	low
pomolic acid	triterpenoid	metabolite	low
aglafoline	methyl ester; organic heterotricyclic compound	metabolite; platelet aggregation inhibitor	low
isomaltose	glycosylglucose	human metabolite; metabolite; mouse metabolite	low
deoxyglucose	2-deoxy-D-glucose	metabolite	low
vestitone	(3R)-2'-hydroxyisoflavanones; hydroxyisoflavanone; methoxyisoflavanone	antibacterial agent; metabolite	low
pantetheine	pantetheines; thiol	human metabolite; metabolite; mouse metabolite	low
salicin	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
taxifolin	taxifolin	metabolite	low
n-formylmethionine	L-methionine derivative; N-formyl amino acid; proteinogenic amino acid	metabolite	low
fucose	deoxygalactose	metabolite	low
saponarin	C-glycosyl compound; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	metabolite	low
hippeastrine	delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol	antineoplastic agent; metabolite	low
cyanidin 3-o-beta-d-glucopyranoside	anthocyanin cation; beta-D-glucoside; monosaccharide derivative	metabolite	low
silychristin	1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger	low
peonidin	5-hydroxyanthocyanidin	antineoplastic agent; antioxidant; apoptosis inducer; metabolite	low
convallatoxin	14beta-hydroxy steroid; 19-oxo steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; steroid aldehyde; steroid lactone	metabolite; vasodilator agent	low
furostanol i	beta-D-glucoside; cyclic hemiketal; pentacyclic triterpenoid; steroid saponin; trisaccharide derivative	metabolite	low
decursinol	cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol	analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
abyssinone v	4'-hydroxyflavanones; phenols; trihydroxyflavanone	metabolite	low
davidigenin	dihydrochalcones; polyphenol	anti-allergic agent; anti-asthmatic agent; antioxidant; metabolite	low
farrerol	organic molecular entity	metabolite	low
naringin	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite	low
isonaringin	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside	anti-inflammatory agent; antioxidant; metabolite	low
cleomiscosin a	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite	low
vicenin ii	C-glycosyl compound; trihydroxyflavone	metabolite	low
eugeniin	beta-D-glucoside; ellagitannin; gallate ester; lactone	anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
knipholone	aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols	antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite	low
alpha bitter acid	aromatic ketone; cyclic ketone; diketone; tertiary alpha-hydroxy ketone; triol	antibacterial drug; antioxidant; cyclooxygenase 2 inhibitor; metabolite	low
acanthoside b	beta-D-glucoside	metabolite	low
chlorpromazine n-oxide	organochlorine compound; phenothiazines; tertiary amine oxide	metabolite	low
3-hydroxyaspartic acid, (threo-l)-isomer	3-hydroxy-L-aspartic acid	metabolite	low
cyclo(l-phe-l-pro)	organic molecular entity	metabolite	low
pyochelin	monocarboxylic acid; phenols; thiazolidines	metabolite; siderophore	low
surfactin c	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant	low
petunidin-3-glucoside	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite	low
malvidin-3-glucoside	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite	low
dioncophylline a	biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthalenes	antifungal agent; antimalarial; metabolite; molluscicide	low
dioncophylline c	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite	low
latrunculin a	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin	low
aglucovancomycin b	cyclic ether; heterodetic cyclic peptide; peptide antibiotic; peptide zwitterion; polyphenol	metabolite	low
(S)-ATPA	isoxazoles; non-proteinogenic L-alpha-amino acid	metabolite	low
epothilone a	epothilone; epoxide	antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator	low
alitretinoin	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist	low
isoleucylvaline	dipeptide	metabolite	low
afimoxifene	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite	low
3-hydroxyhippuric acid	N-acylglycine; phenols	metabolite	low
12-deoxyphorbol 13-acetate	phorbol ester	metabolite	low
conidendrin	lignan	metabolite	low
bevirimat	dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid	HIV-1 maturation inhibitor; metabolite	low
azaserine	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite	low
16beta,17-dihydroxy-ent-kaurane-19-oic acid	bridged compound; diol; ent-kaurane diterpenoid; hydroxy monocarboxylic acid; primary alcohol; tertiary alcohol	anti-HIV agent; metabolite	low
glycyrin	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite	low
reynosin	organic heterotricyclic compound; sesquiterpene lactone	metabolite	low
moronic acid	pentacyclic triterpenoid	anti-HIV agent; anti-HSV-1 agent; metabolite	low
maltitol	alpha-D-glucoside; glycosyl alditol	laxative; metabolite; sweetening agent	low
Phe-Tyr	dipeptide	metabolite	low
2-acetyl-1-pyrroline	acylimine; methyl ketone; pyrroline	flavouring agent; Maillard reaction product; metabolite	low
methyl indole-3-carboxylate	indoles; methyl ester	metabolite	low
camalexin	1,3-thiazoles; indole phytoalexin	metabolite	low
komaroviquinone	bridged compound; lactol; p-quinones; tetracyclic diterpenoid	metabolite; trypanocidal drug	low
2-hydroxycinnamic acid	2-coumaric acid; phenols	antioxidant; metabolite	low
16-epivincamine	alkaloid	metabolite	low
diethyl fumarate	diester	metabolite	low
isoliquiritigenin	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist	low
1-acetyl-beta-carboline	harmala alkaloid	metabolite	low
propolin c	4'-hydroxyflavanones; tetrahydroxyflavanone	metabolite; radical scavenger	low
xanthohumol	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite	low
butylidenephthalide	2-benzofurans; gamma-lactone	EC 3.2.1.20 (alpha-glucosidase) inhibitor; hypoglycemic agent; metabolite	low
malonyl coenzyme a	malonyl-CoAs	EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite	low
imidazol-1-ylacetic acid	imidazolyl carboxylic acid	metabolite	low
captax	aryl thiol; benzothiazoles	carcinogenic agent; metabolite	low
n-acetyltryptophan	L-tryptophan derivative; N-acetyl-L-amino acid	metabolite	low
cinnamoylglycine	N-acylglycine	metabolite	low
n-benzoylalanine	N-acyl-L-alanine; N-benzoylalanine	metabolite	low
isoferulic acid	ferulic acids	antioxidant; biomarker; metabolite	low
oxypeucadanin, (r)-(+)-isomer	furanocoumarin	metabolite	low
curcumin	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	low
thiouracil	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite	low
allylthiourea	thioureas	metabolite	low
n-glycylalanine	dipeptide	metabolite	low
caryophyllene oxide	epoxide	metabolite	low
fumonisin b1	diester; fumonisin; primary amino compound; triol	carcinogenic agent; metabolite	low
olivetolic acid	benzoic acids; monocarboxylic acid; polyketide; resorcinols	metabolite	low
hirsutine, (16e,20beta)-isomer	alkaloid	metabolite	low
Ganodermanontriol	triterpenoid	metabolite	low
dieckol	aromatic ether; oxacycle; phlorotannin	anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger	low
glycylproline	dipeptide zwitterion; dipeptide	metabolite	low
tamoxifen n-oxide	aromatic ether; tertiary amine oxide	anti-estrogen; metabolite	low
7-deacetylgedunin	cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; antimalarial; metabolite; plant metabolite	low
galactose-6-phosphate	D-galactose 6-phosphate	metabolite	low
nicotine n-glucuronide	iminium betaine; N-glycosylpyridine	metabolite	low
isorhyncophylline	indolizines	metabolite	low
cysteinylproline	dipeptide	metabolite	low
glycyllysine	dipeptide	metabolite	low
methionyltryptophan	dipeptide	metabolite	low
ascorbigen	indolyl carbohydrate	metabolite	low
pimeloyl-coenzyme a	omega-carboxyacyl-CoA	metabolite	low
1-salicylate glucuronide	benzoic acids; beta-D-glucosiduronic acid	metabolite	low
isoschaftoside	C-glycosyl compound; trihydroxyflavone	metabolite	low
croomine	alkaloid	metabolite	low
3-hydroxyflavanone	3'-hydroxyflavanones; monohydroxyflavanone	metabolite	low
ungeremine	organic molecular entity	metabolite	low
seryl-proline	dipeptide	metabolite	low
4-hydroxy-5-methyl-3(2h)-furanone	cyclic ketone; enol; furans	metabolite	low
annomontine	alkaloid; aminopyrimidine; beta-carbolines	antiparasitic agent; metabolite	low
8-hydroxymanzamine a	alkaloid; beta-carbolines; isoquinolines	anti-HSV-2 agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; metabolite	low
ginkgetin	biflavonoid; hydroxyflavone; methoxyflavone; ring assembly	anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite	low
calceolarioside b	hydroxycinnamic acid	metabolite	low
eupatilin	dihydroxyflavone; trimethoxyflavone	anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite	low
quercetin 3-o-glucuronide	beta-D-glucosiduronic acid; quercetin O-glycoside	antidepressant; antioxidant; metabolite	low
australifungin	carbobicyclic compound; enol; enone; secondary alcohol	antifungal agent; EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor; HIV-1 integrase inhibitor; metabolite	low
catechin gallate	flavans; gallate ester; polyphenol	metabolite	low
sterigmatocystin	sterigmatocystins	metabolite	low
3,7-dimethoxy-5,3',4'-trihydroxyflavone	dimethoxyflavone; trihydroxyflavone	EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite	low
apigenin	trihydroxyflavone	antineoplastic agent; metabolite	low
7,3'-dihydroxy-4'-methoxyisoflavone	4'-methoxyisoflavones; 7-hydroxyisoflavones	antioxidant; metabolite	low
calcitriol	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical	low
vomifoliol	(6S)-vomifoliol	metabolite; phytotoxin	low
feruloyltyramine	tyramines	metabolite	low
luteolin-7-glucuronide	glycosyloxyflavone; luteolin O-glucuronoside; monosaccharide derivative; trihydroxyflavone	metabolite	low
chrysoeriol	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; antioxidant; metabolite	low
quercetin 3-o-methyl ether	monomethoxyflavone; tetrahydroxyflavone	antimicrobial agent; metabolite	low
dexmedetomidine	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; metabolite	low
apigetrin	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	antibacterial agent; metabolite; non-steroidal anti-inflammatory drug	low
rutin	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite	low
6-ketoprostaglandin e1	prostaglandins E	metabolite; platelet aggregation inhibitor	low
lipoxin a4	hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid	human metabolite; metabolite	low
harmine	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite	low
naringenin chalcone	chalcones; polyphenol	anti-allergic agent; anti-inflammatory agent; metabolite	low
cornexistin	cyclic dicarboxylic anhydride; organic heterobicyclic compound; secondary alpha-hydroxy ketone	herbicide; metabolite	low
isobavachalcone	chalcones; polyphenol	antibacterial agent; metabolite; platelet aggregation inhibitor	low
daphnoretin	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite	low
Rhynchophylline	indolizines	metabolite	low
esculin	beta-D-glucoside; hydroxycoumarin	antioxidant; metabolite	low
mammeisin	neoflavonoid	metabolite	low
ostruthin	terpene lactone	metabolite	low
costunolide	germacranolide; heterobicyclic compound	anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite	low
caryophyllene	beta-caryophyllene	fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug	low
phaseic acid	alpha,beta-unsaturated monocarboxylic acid; apo carotenoid sesquiterpenoid	metabolite	low
agathisflavone	biaryl; biflavonoid; hydroxyflavone	antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite	low
cupressuflavone	biflavonoid; hydroxyflavone; ring assembly	EC 3.4.21.37 (leukocyte elastase) inhibitor; metabolite; radical scavenger	low
fisetin	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite	low
genkwanin	dihydroxyflavone; monomethoxyflavone	metabolite	low
bellidifolin	polyphenol; xanthones	EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; metabolite	low
demethylbellidifolin	tetrol; xanthones	antioxidant; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; mutagen; radical scavenger	low
hinokiflavone	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent	low
euxanthone	phenols; xanthones	metabolite; plant metabolite	low
3-methylquercetin	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite	low
norswertianolin	beta-D-glucoside; xanthones	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
swerchirin	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite	low
isoscutellarein	tetrahydroxyflavone	metabolite	low
kaempferide	7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone	antihypertensive agent; metabolite	low
morin	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	low
norwogonin	trihydroxyflavone	antioxidant; metabolite	low
orientin	3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone	antioxidant; metabolite	low
patuletin	flavonols; monomethoxyflavone; pentahydroxyflavone	analgesic; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; metabolite	low
rhamnetin	monomethoxyflavone; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; metabolite	low
robustaflavone	biflavonoid; hydroxyflavone; ring assembly	anti-HBV agent; antineoplastic agent; antioxidant; metabolite	low
scutellarein	tetrahydroxyflavone	metabolite	low
tamarixetin	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	antioxidant; metabolite	low
tricetin	pentahydroxyflavone	antineoplastic agent; metabolite	low
tricin	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite	low
astringin	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	antineoplastic agent; antioxidant; metabolite	low
polydatin	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator	low
epsilon-viniferin	1-benzofurans; polyphenol; stilbenoid	metabolite	low
irilone	hydroxyisoflavone; organic heterotricyclic compound; oxacycle	antineoplastic agent; immunomodulator; metabolite	low
caffeic acid phenethyl ester	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent	low
licoisoflavone a	7-hydroxyisoflavones	metabolite	low
prunetin	7-methoxyisoflavones; hydroxyisoflavone	anti-inflammatory agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite	low
wedelolactone	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite	low
rottlerin	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite	low
syringetin	3',5'-dimethoxyflavone; 3'-methoxyflavones; 7-hydroxyflavonol; dimethoxyflavone; tetrahydroxyflavone	metabolite; platelet aggregation inhibitor	low
10-deoxymethynolide	macrolide	metabolite	low
4',7-dihydroxyflavone	dihydroxyflavone	metabolite	low
rhoifolin	dihydroxyflavone; glycosyloxyflavone; neohesperidoside	metabolite	low
veronicastroside	disaccharide derivative; glycosyloxyflavone; neohesperidoside; trihydroxyflavone	antibacterial agent; metabolite	low
quercimeritrin	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antioxidant; metabolite	low
josamycin	acetate ester; aldehyde; disaccharide derivative; glycoside; macrolide antibiotic; tertiary alcohol; tertiary amino compound	antibacterial drug; metabolite	low
n,n-dimethylsphingenine	aminodiol; sphingoid; tertiary amino compound	EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite	low
4-hydroxyestradiol	4-hydroxy steroid	metabolite	low
9-hydroxy-10,12-octadecadienoic acid	HODE; octadecadienoic acid	human metabolite; metabolite; mouse metabolite; plant metabolite	low
9-oxo-10,12-octadecadienoic acid	enone; oxooctadecadienoic acid	metabolite	low
13-oxo-9,11-octadecadienoic acid	13-oxo-9,11-octadecadienoic acid; oxo fatty acid	metabolite	low
13,14-dihydro-15-ketoprostaglandin d2	prostaglandins D	metabolite	low
15-keto-13,14-dihydroprostaglandin f2alpha	ketone; prostaglandins Falpha	metabolite	low
2,3-dinor-6-ketoprostaglandin f1alpha	4-oxo monocarboxylic acid; prostanoid; secondary alcohol	metabolite	low
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer	3beta-sterol	anti-HSV-1 agent; antifungal agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; metabolite	low
calcifediol	D3 vitamins; diol; hydroxycalciol	bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical	low
cyclosporine	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	low
oleyl alcohol	fatty alcohol 18:1; long-chain primary fatty alcohol	metabolite; nonionic surfactant	low
fortimicin a	amino cyclitol glycoside; aminoglycoside antibiotic; diol; monocarboxylic acid amide; primary amino compound	antibacterial agent; metabolite	low
3',4',7-trihydroxyisoflavone	7-hydroxyisoflavones	antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite	low
6,7,4'-trihydroxyisoflavone	7-hydroxyisoflavones	anti-inflammatory agent; antimutagen; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite; PPARalpha agonist; PPARgamma agonist	low
15-deoxy-delta(12,14)-prostaglandin j2	prostaglandins J	electrophilic reagent; insulin-sensitizing drug; metabolite	low
cytochalasin b	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor	low
ciguatoxins	ciguatoxin	metabolite	low
12-hydroxy-5,8,10-heptadecatrienoic acid	hydroxy polyunsaturated fatty acid; long-chain fatty acid; trienoic fatty acid	metabolite	low
bisdemethoxycurcumin	beta-diketone; diarylheptanoid; enone; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite	low
clausine e	carbazoles	metabolite	low
ethyl caffeate	alkyl caffeate ester; ethyl ester; hydroxycinnamic acid	anti-inflammatory agent; antineoplastic agent; metabolite	low
heptaphylline	carbazoles	metabolite	low
pellitorine	fatty amide	metabolite	low
andrographolide	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite	low
isorhamnetin-3-o-galactoside	beta-D-galactoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite	low
isorhamnetin 3-o-glucoside	beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite	low
kaempferol-3-o-rutinoside	disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone	metabolite; plant metabolite; radical scavenger	low
ligustilide	butenolide	metabolite	low
7,4'-dihydroxy-3'-methoxyisoflavone	7-hydroxyisoflavones; methoxyisoflavone	antiplasmodial drug; metabolite	low
sappanchalcone	catechols; chalcones; monomethoxybenzene	anti-allergic agent; anti-inflammatory agent; antioxidant; metabolite	low
methyl brevifolincarboxylate	cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols	EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent	low
3-deoxysappanchalcone	chalcones; monomethoxybenzene; phenols	metabolite	low
nostocarboline	alkaloid; beta-carbolines; organic cation; organochlorine compound	antimalarial; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite	low
ergosterol-5,8-peroxide	3beta-sterol; ergostanoid; organic peroxide; phytosterols	antimycobacterial drug; antineoplastic agent; metabolite; trypanocidal drug	low
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide	hydroxycinnamic acid	metabolite	low
macluraxanthone b	phenols; xanthones	anti-HIV agent; antineoplastic agent; metabolite	low
flavokawain b	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite	low
alternariol	benzochromenone; phenols	EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin	low
cis-3-hexenyl acetate	acetate ester; olefinic compound	metabolite	low
pipercallosidine	alkaloid; benzodioxoles; enamide; secondary carboxamide	apoptosis inducer; metabolite; plant metabolite	low
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide	hydroxycinnamic acid	metabolite	low
7-hydroxyisoflavone	7-hydroxyisoflavones	EC 1.14.14.14 (aromatase) inhibitor; metabolite	low
flazin	harmala alkaloid	metabolite	low
11-hydroxynoracronycine	acridines	metabolite	low
jaceosidin	dimethoxyflavone; trihydroxyflavone	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite	low
5,7,3'-trihydroxy-3,4'-dimethoxyflavone	dimethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite	low
salutaridine	morphinane alkaloid	anti-HBV agent; metabolite	low
cytochalasin e	cytochalasan alkaloid	metabolite	low
artocarpin lectin	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite	low
fumarates	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite	low
bleomycin	bleomycin	antineoplastic agent; metabolite	low
1,7-dihydroxy-4-methoxyxanthone	aromatic ether; phenols; xanthones	metabolite; plant metabolite	low
demethoxycurcumin	beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antineoplastic agent; metabolite	low
bergamottin	furanocoumarin	metabolite	low
alanyl-alanyl-alanine	tripeptide	metabolite	low
24-ethyl-4-cholesten-3-one	C29-steroid; steroid	metabolite	low
myricetin 3-o-glucuronide	monosaccharide derivative; myricetin O-glucuronide; pentahydroxyflavone	metabolite	low
phenylalanylalanine	dipeptide zwitterion; dipeptide	metabolite	low
alpinumisoflavone	isoflavanones	metabolite	low
alpha-aspartylalanine	dipeptide	metabolite	low
alanyltyrosine	dipeptide	metabolite	low
arglabin	epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone	antineoplastic agent; metabolite	low
ap 10	diterpene lactone	metabolite	low
quercetin 7-rhamnoside	alpha-L-rhamnoside; flavonols; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	metabolite	low
albonoursin	2,5-diketopiperazines	metabolite	low
oroidin	pyrroles; secondary carboxamide	metabolite	low
monorden	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor	low
apratoxin a	1,3-thiazoles; apratoxin	antineoplastic agent; metabolite	low
(-)-catechin-3-O-gallate	flavans; gallate ester; polyphenol	metabolite	low
aspartyllysine	dipeptide	metabolite	low
arginyllysine	dipeptide	metabolite	low
hygromycin a	hydroxycinnamic acid	metabolite	low
latrunculin b	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin	low
falcarindiol	organic molecular entity	metabolite	low
dehydroergosterol	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	biomarker; metabolite	low
n-oleoylglycine	fatty amide; N-acylglycine 18:1	metabolite	low
rhizoxin	1,3-oxazoles; epoxide; macrolide antibiotic	antimitotic; antineoplastic agent; metabolite	low
manoalide	butenolide; lactol; sesterterpenoid	EC 3.1.1.4 (phospholipase A2) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite	low
concanamycin a	carbamate ester; concanamycin	antifungal agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; metabolite	low
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid	enoate ester; methyl ester; monocarboxylic acid amide	metabolite	low
thunberginol f	catechols; gamma-lactone; isobenzofuranone	metabolite; plant metabolite	low
pyracrenic acid	triterpenoid	metabolite	low
eicosa-11,14-dienoic acid, (z,z)-isomer	icosadienoic acid	metabolite	low
yuanhuadine	diterpenoid	metabolite	low
tiglylglycine	N-acylglycine	metabolite	low
rhodiocyanoside a	aliphatic nitrile; beta-D-glucoside; cyanogenic glycoside; monosaccharide derivative	anti-allergic agent; metabolite	low
(2E,4E)-N-isobutyl-2,4-dodecadienamide	fatty amide	metabolite	low
mycothiazole	thiazoles	metabolite	low
13-oxo-9,11-octadecadienoic acid	13-oxo-9,11-octadecadienoic acid	metabolite; mouse metabolite	low
linderalactone	butenolide	metabolite	low
pros-methylimidazoleacetic acid	imidazolyl carboxylic acid	metabolite	low
cellobionic acid	carbohydrate acid; disaccharide	metabolite	low
pseudopteroxazole	tetralins	metabolite	low
sophoraflavanone a	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	antibacterial agent; antineoplastic agent; metabolite	low
panduratin a	diarylheptanoid	metabolite	low
stigmasterol 3-o-beta-d-glucopyranoside	beta-D-glucoside; monosaccharide derivative; phytosterols; steroid saponin	metabolite	low
17-hydroxyjolkinolide b	diterpene lactone	metabolite	low
sq-23377	cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid	calcium ionophore; metabolite	low
corosolic acid	triterpenoid	metabolite	low
cyclo(prolyl-valyl)	piperazinone	metabolite	low
phenylalanylglycine	dipeptide	metabolite	low
leucyl-phenylalanine	dipeptide	metabolite	low
glutamylalanine	dipeptide	metabolite	low
glutaminyl-glycine	dipeptide	metabolite	low
methionylglycine	dipeptide	metabolite	low
valylleucine	dipeptide	metabolite	low
phenylalanyl-valine	dipeptide	metabolite	low
cyclo(glycyltryptophyl)	indoles	metabolite	low
alanylglycine	dipeptide zwitterion; dipeptide	metabolite	low
valyltyrosine	dipeptide	metabolite	low
alpha-glutamyltryptophan	dipeptide	metabolite	low
lysylglutamic acid	dipeptide	metabolite	low
methionylglutamic acid	dipeptide	metabolite	low
seryl-histidine	dipeptide	metabolite	low
arginyl-glutamine	dipeptide	metabolite	low
phenylalanylproline	dipeptide	metabolite	low
lysylglycine	dipeptide	metabolite	low
glycylhistidine	dipeptide zwitterion; dipeptide	metabolite	low
kopsinine	indole alkaloid	metabolite	low
cyclo(leucyl-phenylalanyl)	2,5-diketopiperazines	metabolite	low
prolylisoleucine	dipeptide	metabolite	low
phenylalanyl-valine	dipeptide	metabolite	low
isoleucyl-tyrosine	dipeptide	metabolite	low
prolyl-serine	dipeptide	metabolite	low
grayanotoxin i	acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid	antihypertensive agent; metabolite; neuromuscular agent; phytotoxin	low
19-norandrosterone	17-oxo steroid	metabolite	low
s-allylcysteine	L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine	antineoplastic agent; metabolite	low
oleandrigenin	14beta-hydroxy steroid; 3beta-hydroxy steroid; steroid ester	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite	low
valyl-prolyl-proline	tripeptide	metabolite	low
prolylvaline	dipeptide	metabolite	low
palbinone	16-oxo steroid	metabolite	low
pseurotin	azaspiro compound; lactam; oxaspiro compound	metabolite	low
gambogic acid	pyranoxanthones	metabolite	low
xenovulene a	cyclic ether; enone; organic heterotetracyclic compound; sesquiterpenoid	GABA antagonist; metabolite	low
fr 148083	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor	low
LL-Z1640-1	macrolide; resorcinols	metabolite	low
9-methoxycanthin-6-one	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite	low
n-acetylcarnosine	dipeptide	metabolite	low
cholest-5-en-3-one	3-oxo-Delta(5)-steroid; cholestanoid	metabolite	low
kaempferol 3-O-beta-L-glucopyranoside	beta-L-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite	low
rubraxanthone	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite	low
ubiquinol	polyprenylhydroquinone; ubiquinol	biomarker; metabolite	low
landomycin a	oligosaccharide	metabolite	low
ancistroealaine a	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug	low
cerberin	acetate ester; cardenolide glycoside; monosaccharide derivative	antineoplastic agent; metabolite	low
actein	triterpenoid	metabolite	low
araloside a	triterpenoid saponin	metabolite	low
ageladine a	alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite	low
corynoxine b	indolizines	metabolite	low
kaempferol 7-o-glucoside	beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite; plant metabolite; radical scavenger	low
delphinidin 3-sambubioside	anthocyanidin 3-O-beta-D-sambubioside	apoptosis inducer; metabolite	low
nodosin	delta-lactone	metabolite	low
protylonolide	diol; enone; macrolide	metabolite	low
arisugacin	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite	low
nymphaeol c	4'-hydroxyflavanones; tetrahydroxyflavanone	metabolite; radical scavenger	low
thonningianin a	tannin	metabolite	low
cephalostatin i	oxo steroid	metabolite	low
papyriflavonol a	3'-hydroxyflavonoid; flavonols; pentahydroxyflavone	EC 1.14.18.1 (tyrosinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; metabolite	low
lactonamycin	gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative	antibacterial agent; antimicrobial agent; metabolite	low
myrsinoic acid b	1-benzofurans; monocarboxylic acid	anti-inflammatory agent; EC 4.4.1.11 (methionine gamma-lyase) inhibitor; metabolite	low
betulone	triterpenoid	metabolite	low
eckstolonol	organic heteropentacyclic compound; oxacycle; phlorotannin	metabolite; radical scavenger	low
manassantin b	benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol	antineoplastic agent; metabolite	low
gitaloxin	cardenolide glycoside	metabolite	low
paeonilide	benzoate ester	metabolite	low
dihydroxanthohumol	aromatic ether; dihydrochalcones; polyphenol	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
corynoxine	indolizines	metabolite	low
7-phloroeckol	aromatic ether; phlorotannin	antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite	low
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside	beta-D-glucoside; dimethoxybenzene; lignan; monosaccharide derivative; polyphenol; primary alcohol; tetralins	antibacterial agent; antifungal agent; metabolite	low
Sphaeropsidin C	tricyclic diterpenoid	metabolite	low
kelampayoside a	glycoside	metabolite	low
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite	low
2,3-dihydro-3beta-methoxy withaferin A	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	metabolite; plant metabolite	low
nigranoic acid	dicarboxylic acid; tetracyclic triterpenoid	antineoplastic agent; HIV-1 reverse transcriptase inhibitor; metabolite	low
esculeoside a	azaspiro compound; oxaspiro compound; saponin; steroid alkaloid; steroid saponin	antineoplastic agent; metabolite	low
aerothionin	isoxazoles	metabolite	low
artemisic acid	carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid	metabolite	low
26-deoxyactein	triterpenoid	metabolite	low
5-formylcytosine	aminopyrimidine; heteroarenecarbaldehyde; nucleobase analogue; pyrimidone	metabolite	low
migrastatin	ether; macrolide antibiotic; piperidones; secondary alcohol	antineoplastic agent; metabolite	low
Lyngbic acid	long-chain fatty acid	metabolite	low
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one	polyphenol; xanthones	anti-inflammatory agent; antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite	low
bielschowskysin	acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound	antimalarial; antineoplastic agent; metabolite	low
procyanidin b1	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; EC 3.4.21.5 (thrombin) inhibitor; metabolite	low
cyclo(tyrosyl-tyrosyl)	cyclo(tyrosyl-tyrosyl)	metabolite	low
spiculoic acid a	carbobicyclic compound; cyclic ketone; oxo monocarboxylic acid; styrenes	antineoplastic agent; metabolite	low
myrocin a	tertiary alcohol	metabolite	low
3'-o-methylepicatechin	catechin	metabolite	low
episilvestrol	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite	low
protopanaxatriol	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; 6alpha-hydroxy steroid; sapogenin; tetracyclic triterpenoid	metabolite	low
laurinterol	organobromine compound; phenols; sesquiterpenoid	antibacterial agent; apoptosis inducer; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite	low
Pseudopterosin G-J aglycone	diterpenoid	metabolite	low
ceratamine a	alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine	antimitotic; metabolite	low
liphagal	aldehyde; cyclic ether; meroterpenoid; organic heterotetracyclic compound; polyphenol	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; metabolite	low
pulsatilla saponin d	triterpenoid	metabolite	low
diversonol	phenols; tertiary alcohol	antibacterial agent; metabolite	low
neotuberostemonine	alkaloid	metabolite	low
drymaritin	enol ether; enone; indole alkaloid; organic heterotetracyclic compound	anti-HIV agent; metabolite	low
lyoniresinol	dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins	antineoplastic agent; metabolite	low
silvestrol	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite	low
ginsenoside ro	triterpenoid saponin	metabolite	low
diosgenin glucoside	hexacyclic triterpenoid; monosaccharide derivative; spiroketal; sterol 3-beta-D-glucoside	metabolite	low
pyripyropene a	organic heterotetracyclic compound; sesquiterpenoid	acyl-CoA:cholesterol acyltransferase 2 inhibitor; metabolite	low
3-epioleanolic acid	triterpenoid	metabolite	low
leucylproline	dipeptide zwitterion; dipeptide	metabolite	low
R-(-)-actinodaphnine	aporphine alkaloid	metabolite	low
cytotrienin a	cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol	antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite	low
methylamphotericin b	macrolide; methyl ester; monosaccharide derivative	antifungal agent; antiinfective agent; metabolite	low
2'-methoxykurarinone	4'-hydroxyflavanones; dihydroxyflavanone; dimethoxyflavanone	antineoplastic agent; metabolite	low
verproside	glycoside	metabolite	low
verminoside	hydroxycinnamic acid	metabolite	low
minecoside	hydroxycinnamic acid	metabolite	low
(R)-(+)-6',7'-dihydroxybergamottin	furanocoumarin	metabolite	low
lapidilectine b	indolyl carboxylic acid	metabolite	low
batzelladine a	alkaloid; carboxylic ester; guanidines; organic heterotricyclic compound; pyrrolopyrimidine; triazaacenaphthylene	anti-HIV-1 agent; metabolite	low
alloin	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite	low
longipinene	alpha-longipinene	metabolite	low
parkeol	3beta-hydroxy-4,4-dimethylsteroid; 3beta-sterol; tetracyclic triterpenoid	metabolite	low
rutundic acid	triterpenoid	metabolite	low
a-factor (streptomyces)	butan-4-olide; primary alcohol	metabolite	low
taraxasteryl acetate	triterpenoid	metabolite	low
chikusetsu saponin iva	triterpenoid saponin	metabolite	low
xestoaminol c	amino alcohol; sphingoid	metabolite	low
malyngamide A	dicarboximide	metabolite	low
simalikalactone D	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol	antimalarial; antineoplastic agent; antiviral agent; metabolite	low
friedelane	triterpene	metabolite	low
shamixanthone	cyclic ketone; phenols; pyranoxanthene	metabolite	low
17,18-epoxy-5,8,11,14-eicosatetraenoic acid	EpETE	metabolite	low
chaetominine	indole alkaloid; lactam; organic heterotetracyclic compound; quinazolines	metabolite	low
schweinfurthin g	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; metabolite	low
salmon calcitonin	heterodetic cyclic peptide; peptide hormone; polypeptide	bone density conservation agent; metabolite	low
complestatin	cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol	anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite	low
neuroprotectin a	cyclic ether; heterodetic cyclic peptide; indoles; organochlorine compound; polyphenol	HIV-1 integrase inhibitor; metabolite	low
alx-0600	polypeptide	antioxidant; glucagon-like peptide-2 receptor agonist; metabolite; protective agent	low
schweinfurthin f	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	metabolite	low
antrocamphin a	methoxybenzenes	anti-inflammatory agent; metabolite	low
respirantin	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite	low
streptobiosamine	amino disaccharide	metabolite	low
interiotherin b	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite	low
succinyladenosine	adenosines; amino dicarboxylic acid; L-aspartic acid derivative	metabolite	low
6-tuliposide a	6-O-acyl-D-glucose; homoallylic alcohol	allergen; metabolite	low
glycochenodeoxycholate-3-sulfate	7alpha-hydroxy steroid; bile acid glycine conjugate; steroid sulfate	metabolite	low
wewakazole	cyclic peptide	metabolite	low
spongia-13(16),14-dien-19-oic acid	cyclic ether; monocarboxylic acid; tetracyclic diterpenoid	androgen antagonist; metabolite	low
Icariside E4	benzofurans	metabolite	low
lucidenic acid n	cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid	antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite	low
dihydroagarofuran	bridged compound; cyclic ether; eudesmane sesquiterpenoid; organic heterotricyclic compound	metabolite	low
23-epi-26-deoxyactein	triterpenoid	metabolite	low
23-hydroxybetulinic acid	triterpenoid	metabolite	low
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene	diterpenoid	metabolite	low
bromophycolide a	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite	low
2-acetamidoglucal	acetamides; glycal derivative	metabolite	low
caribenol a	organic heterotetracyclic compound; terpene lactone; tertiary alcohol	antimalarial; antitubercular agent; metabolite	low
halisulfate 1	organic molecular entity	metabolite	low
6-O-feruloylcatalpol	hydroxycinnamic acid	metabolite	low
grassypeptolide	cyclodepsipeptide; macrocycle	antineoplastic agent; metabolite	low
essramycin	triazolopyrimidines	metabolite	low
ainsliadimer a	sesquiterpene lactone; spiro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
salvileucalin b	bridged compound; diterpenoid; furans; gamma-lactone	antineoplastic agent; metabolite	low
ciliatamide a	caprolactams; lipopeptide	antileishmanial agent; metabolite	low
etnangien	hydroxy monocarboxylic acid; macrolide antibiotic	antibacterial agent; metabolite	low
latrunculol a	macrolide	metabolite	low
N-trans-sinapoyltyramine	hydroxycinnamic acid	metabolite	low
lycojapodine a	alkaloid; bridged compound; cyclic ketone; lactone; organic heterotetracyclic compound	anti-HIV-1 agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
epi-maslinic acid	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; metabolite	low
eoxin c4	eoxin; leukotriene	metabolite	low
brartemicin	benzoate ester; glycosyl glycoside derivative; resorcinols	antimicrobial agent; metabolite	low
Majusculamide AB	amino acid amide	metabolite	low
7,8-dihydroxyflavanone	dihydroxyflavanone	antineoplastic agent; metabolite	low
antcin a	ergostanoid	metabolite	low
integric acid	carboxylic ester; cyclic ketone; dioxo monocarboxylic acid; enal; enone; eremophilane sesquiterpenoid	HIV-1 integrase inhibitor; metabolite	low
vanilloloside	glycoside	metabolite	low
2,3-dihydro-3beta-O-sulfate withaferin A	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide	antineoplastic agent; metabolite; plant metabolite	low
dicranin	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	low
leachianone a	4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antimalarial; antineoplastic agent; metabolite	low
hordatine a	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite	low
englerin a	cinnamate ester; glycolate ester; guaiane sesquiterpenoid	antineoplastic agent; metabolite	low
monanchocidin	organic molecular entity	metabolite	low
eurycomanone	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol	antimalarial; antineoplastic agent; metabolite	low
sphaeropsidin a	gamma-lactone	metabolite	low
gardenoside	beta-D-glucoside; cyclopentapyran; enoate ester; methyl ester; monosaccharide derivative; tertiary alcohol	metabolite	low
landomycin d	anthraquinone	metabolite	low
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	11-oxo steroid; 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; secondary alpha-hydroxy ketone; steroid acid	antineoplastic agent; metabolite	low
antcin k	bile acid	metabolite	low
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid	antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist	low
shizukaol B	triterpenoid	metabolite	low
shizukaol f	triterpenoid	metabolite	low
calicheamicin gamma(1)i	calicheamicin; enediyne antibiotic; organoiodine compound	antineoplastic agent; metabolite	low
staphyloxanthin	apo carotenoid triterpenoid; D-aldohexose derivative; fatty acid ester; triol; xanthophyll	antioxidant; biological pigment; metabolite; virulence factor	low
sm 1 peptide	acetate ester; ergot alkaloid	metabolite	low
mycocyclosin	2,5-diketopiperazines; organic heterotetracyclic compound; polyphenol	metabolite	low
callipeltin a	cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols	anti-HIV-1 agent; antifungal agent; metabolite	low
vinylamycin	cyclodepsipeptide; macrocycle; primary alcohol	antibacterial agent; antimicrobial agent; metabolite	low
promegestone	terpene lactone	metabolite	low
lancifodilactone g	cyclic ether; diol; enol; gamma-lactone; oxaspiro compound; triterpenoid	anti-HIV agent; metabolite	low
rediocide a	diterpenoid; epoxide; ortho ester; terpene lactone	insecticide; metabolite	low
lasiokaurin	kaurane diterpenoid	metabolite	low
longikaurin a	kaurane diterpenoid	metabolite	low
ponicidin	dioxanes	metabolite	low
(Z)-6,6',7,3'a-Diligustilide	butenolide	metabolite	low
suvanine	organic molecular entity	metabolite	low
shizukaol d	triterpenoid	metabolite	low
thailandepsin a	cyclodepsipeptide	metabolite	low
nordidemnin b	didemnin	metabolite	low
4-formylaminooxyvinylglycine	non-proteinogenic alpha-amino acid	metabolite	low
platycoside e	triterpenoid saponin	metabolite	low
leuconoxine	alkaloid	metabolite	low
epidermin	macrocycle; type A lantibiotic	antibacterial agent; metabolite	low
surfactin A	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; surfactant	low
myriaporone 3	beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol	antineoplastic agent; metabolite	low
avenacoside b	beta-D-glucoside; hexacyclic triterpenoid; spiroketal; steroid saponin; tetrasaccharide derivative	metabolite	low
3-methylglutarylcarnitine	O-methylglutarylcarnitine	metabolite	low
pivaloylcarnitine	C5-acylcarnitine	metabolite	low
levoleucovorin	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite	low
7,8-dihydroneopterin	dihydropterin; neopterins	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	low
guanosine monophosphate	guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	biomarker; Escherichia coli metabolite; metabolite; mouse metabolite	low
2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine	methyl ketone; pyrimidodiazepine	metabolite	low
dyspropterin	biopterins; tetrahydropterin	human metabolite; metabolite; mouse metabolite	low
2'-o-methylguanosine	methylguanosine	metabolite	low
allopurinol riboside	nucleoside analogue	metabolite	low
norclozapine	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist	low
7-methylguanosine	methylguanosine; organic cation	metabolite	low
3'-o-methylguanosine	methylguanosine	metabolite	low
primapterin	biopterins	metabolite	low
7-methylinosine	inosines; organic cation	metabolite	low
marineosin a	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite	low
marineosin b	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite	low
4-hydroxyphenylacetic acid	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite	low
indoleacetamide	indoles; monocarboxylic acid amide; N-acylammonia	bacterial metabolite; fungal metabolite; plant metabolite	low
gamma-guanidinobutyric acid	guanidines; monocarboxylic acid; zwitterion	fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	low
itaconic acid	dicarboxylic acid; dicarboxylic fatty acid; olefinic compound	fungal metabolite; human metabolite	low
theophylline	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent	low
caffeine	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	low
2,5-dihydroxybenzoic acid	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite	low
muscimol	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug	low
psilocin	hydroxyindoles; phenols; tertiary amino compound; tryptamine alkaloid	drug metabolite; fungal metabolite; hallucinogen; human xenobiotic metabolite; serotonergic agonist	low
urethane	carbamate ester	fungal metabolite; mutagen	low
methyl n-methylanthranilate	benzoate ester; methyl ester; secondary amino compound; substituted aniline	animal metabolite; fungal metabolite; plant metabolite	low
veratryl alcohol	benzyl alcohols; dimethoxybenzene; primary alcohol	fungal metabolite	low
4-hydroxyacetophenone	monohydroxyacetophenone	fungal metabolite; mouse metabolite; plant metabolite	low
acrylonitrile	aliphatic nitrile; volatile organic compound	antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent	low
4-hydroxyphenylethanol	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent	low
psilocybin	organic phosphate; tertiary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen; prodrug; serotonergic agonist	low
nonadecanoic acid	long-chain fatty acid; straight-chain saturated fatty acid	fungal metabolite	low
3-methylfuran	furans; volatile organic compound	Aspergillus metabolite; environmental contaminant; fungal metabolite; Penicillium metabolite; plant metabolite	low
gamma-dodecalactone	gamma-lactone	bacterial metabolite; fungal metabolite; volatile oil component	low
1-octen-3-ol	alkenyl alcohol; medium-chain fatty alcohol	antimicrobial agent; fungal metabolite; insect attractant; volatile oil component	low
norsolorinic acid	polyketide; tetrahydroxyanthraquinone	fungal metabolite	low
2-ethylhexanal	saturated fatty aldehyde	bacterial xenobiotic metabolite; fungal metabolite	low
mevastatin	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	low
norharman	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite	low
cephalosporin c	cephalosporin	fungal metabolite	low
sulfur	elemental sulfur; homomonocyclic compound	bacterial metabolite; fungal metabolite	low
nebularine	purine ribonucleoside; purines D-ribonucleoside	fungal metabolite	low
1,8-dihydroxynaphthalene	naphthalenediol	fungal metabolite	low
siccanin	organic heteropentacyclic compound	antifungal drug; fungal metabolite	low
rubrofusarin	aromatic ether; benzochromenone; phenols; polyketide	biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; fungal metabolite	low
5-hydroxybenzofuran-2-one	1-benzofurans; aromatic alcohol	antifungal agent; fungal metabolite	low
5-hydroxymethyl-2-furoic acid	aromatic primary alcohol; furoic acid	bacterial xenobiotic metabolite; fungal metabolite; human urinary metabolite; nematicide	low
fibrinogen	iditol	fungal metabolite	low
3-hydroxybutyric acid	3-hydroxybutyric acid; ketone body	fungal metabolite; human metabolite; pheromone	low
orotidine	nucleoside; pyrimidinemonocarboxylic acid; uridines	bacterial metabolite; fungal metabolite; plant metabolite	low
atromentin	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	low
2'-o-methyladenosine	adenosines; ether	fungal metabolite	low
ergosine	ergot alkaloid	fungal metabolite	low
acromelic acid a	pyridone; pyrrolidinecarboxylic acid; tricarboxylic acid	fungal metabolite; neurotoxin; NMDA receptor agonist	low
trapoxin a	epoxide; homodetic cyclic peptide; ketone	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; fungal metabolite	low
deoxyfuconojirimycin	hydroxypiperidine; triol	fungal metabolite	low
emodin anthrone	anthracenone; phenols	fungal metabolite	low
saintopin	tetracenequinones	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; fungal metabolite; intercalator	low
cercosporamide	dibenzofurans; methyl ketone; monocarboxylic acid amide; polyphenol	antifungal agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite; phytotoxin	low
baeocystin	organic phosphate; secondary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen	low
albicanol	carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid	antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite	low
ml 236a	2-pyranones; carbobicyclic compound; hexahydronaphthalenes; polyketide; secondary alcohol	antiatherosclerotic agent; anticholesteremic drug; antilipemic drug; antimicrobial agent; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; fungal metabolite	low
2,5-dihydroxybenzyl alcohol	aromatic primary alcohol; phenols	antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite	low
3-octanone	dialkyl ketone	antifeedant; biomarker; fungal metabolite; human urinary metabolite; insect attractant; plant metabolite; toxin	low
lenticin	amino-acid betaine; indole alkaloid; L-tryptophan derivative	fungal metabolite; plant metabolite; xenobiotic	low
ergonovine	ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound	diagnostic agent; fungal metabolite; oxytocic; toxin	low
ergosterol	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite	low
eicosapentaenoic acid	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical	low
aphidicolin	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	low
sordaricin	3-oxo monocarboxylic acid; aldehyde; bridged compound; primary alcohol; tetracyclic diterpenoid	antifungal agent; fungal metabolite	low
methyl cinnamate	methyl cinnamate	antibacterial agent; fungal metabolite; nematicide; plant metabolite	low
averufin	cyclic ketal; organic heteropentacyclic compound; polyketide; polyphenol	fungal metabolite	low
rhodotorulic acid	2,5-diketopiperazines; hydroxamic acid; L-ornithine derivative	fungal metabolite; siderophore	low
helvolic acid	3-oxo-Delta(1) steroid; acetate ester; monocarboxylic acid; steroid acid	antibacterial agent; fungal metabolite; mycotoxin	low
beauvericin	cyclodepsipeptide	antibiotic insecticide; antifungal agent; antineoplastic agent; apoptosis inhibitor; fungal metabolite; ionophore; mycotoxin; P450 inhibitor	low
8,11,14-eicosatrienoic acid	fatty acid 20:3; long-chain fatty acid	fungal metabolite; human metabolite; nutraceutical	low
canthaxanthin	carotenone	biological pigment; Escherichia coli metabolite; food colouring; fungal metabolite	low
zearalenone	macrolide; resorcinols	fungal metabolite; mycoestrogen	low
norlichexanthone	polyphenol; xanthones	antimalarial; fungal metabolite	low
orobol	7-hydroxyisoflavones	anti-inflammatory agent; fungal metabolite; plant metabolite; radical scavenger	low
ellagic acid	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	low
t-2 toxin	acetate ester; organic heterotetracyclic compound; trichothecene	apoptosis inducer; cardiotoxic agent; DNA synthesis inhibitor; environmental contaminant; fungal metabolite; mycotoxin; neurotoxin	low
glycitein	7-hydroxyisoflavone; methoxyisoflavone	fungal metabolite; phytoestrogen; plant metabolite	low
ergothioneine	1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid	antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite	low
alternariol monomethyl ether	aromatic ether; benzochromenone	antifungal agent; fungal metabolite; mycotoxin	low
iditol	iditol	fungal metabolite; human metabolite	low
poricoic acid a	dicarboxylic acid; secondary alcohol; tricyclic triterpenoid	fungal metabolite	low
poricoic acid g	dicarboxylic acid; secondary alcohol; tricyclic triterpenoid	fungal metabolite	low
mevalonolactone	4-hydroxy-4-methyloxan-2-one	fungal metabolite; plant metabolite	low
ascofuranone	dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone	angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite	low
mucidin	enoate ester; enol ether	antifungal agent; fungal metabolite	low
squalestatin 1	acetate ester; cyclic ketal; oxabicycloalkane; polyketide; tertiary alcohol; tricarboxylic acid	EC 2.5.1.21 (squalene synthase) inhibitor; fungal metabolite	low
thermozymocidin	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	low
acuminatin	1-benzofurans; dimethoxybenzene; neolignan; olefinic compound; ring assembly	fungal metabolite; plant metabolite	low
strobilurin b	enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; monochlorobenzenes; monomethoxybenzene	antifungal agent; fungal metabolite; mitochondrial cytochrome-bc1 complex inhibitor	low
ergosta-4,6,8(14),22-tetraen-3-one	3-oxo-Delta(4) steroid; ergostanoid	fungal metabolite	low
fumagillin	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	low
altenusin	aromatic ether; carboxybiphenyl; catechols; hydroxybiphenyls; polyphenol	antifungal agent; fungal metabolite	low
ebericol	14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid	fungal metabolite	low
tmc-95a	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor	low
monacolin j	2-pyranones; carbobicyclic compound; hexahydronaphthalenes; polyketide; secondary alcohol	antimicrobial agent; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; fungal metabolite	low
trachyspic acid	oxaspiro compound; tricarboxylic acid	EC 3.2.1.166 (heparanase) inhibitor; fungal metabolite	low
yw 3548	olefinic compound; terpene lactone; tertiary alcohol	fungal metabolite; glycerophosphoinositol synthesis inhibitor	low
hypothemycin	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite	low
HT-2 toxin	acetate ester; organic heterotetracyclic compound; trichothecene	apoptosis inducer; fungal metabolite	low
tmc-95b	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor	low
sporothriolide	furofuran; gamma-lactone	antifungal agent; fungal metabolite	low
ascochlorin	cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid	angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite	low
zaragozic acid c	acetate ester; cyclic ketal; oxabicycloalkane; polyketide; tertiary alcohol; tricarboxylic acid	EC 2.5.1.21 (squalene synthase) inhibitor; fungal metabolite	low
monascin	alpha,beta-unsaturated ketone; gamma-lactone; organic heterotricyclic compound; polyketide	antilipemic drug; antineoplastic agent; fungal metabolite; PPARgamma agonist	low
monascorubrin	azaphilone; enone; gamma-lactone; polyketide; triketone	anti-inflammatory agent; antineoplastic agent; biological pigment; food colouring; fungal metabolite; Hsp90 inhibitor	low
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one	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	low
ganodermadiol	3beta-sterol; primary allylic alcohol; tetracyclic triterpenoid	antiviral agent; fungal metabolite; hepatoprotective agent	low
(3E,9E)-5,6-Dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione	cytochalasin	fungal metabolite	low
prosomatostatin	heterodetic cyclic peptide; peptide hormone	fungal metabolite; mouse metabolite; rat metabolite	low
depudecin	polyketide	EC 3.5.1.98 (histone deacetylase) inhibitor; fungal metabolite	low
antroquinonol d	enol ether; enone; secondary alcohol	antineoplastic agent; fungal metabolite	low
equisetin	enol; octahydronaphthalenes; primary alcohol; tetramic acids	antibacterial agent; fungal metabolite; HIV-1 integrase inhibitor; quorum sensing inhibitor	low
hispidin	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite	low
asperfuranone	2-benzofurans; cyclic ketone; diol; polyketide; secondary alcohol; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; fungal metabolite	low
bassianolide	cyclodepsipeptide; cyclooctadepsipeptide	antineoplastic agent; fungal metabolite; insecticide	low
dimethyl sulfide	aliphatic sulfide	algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite	low
2,4,6-tribromophenol	bromophenol	environmental contaminant; fungicide; marine metabolite	low
methylene bromide	bromohydrocarbon; bromomethanes	algal metabolite; marine metabolite	low
methyl bromide	bromohydrocarbon; bromomethanes; methyl halides	algal metabolite; fumigant insecticide; marine metabolite	low
methyl chloride	chloromethanes; methyl halides	marine metabolite; mutagen; refrigerant	low
dichloroacetic acid	monocarboxylic acid; organochlorine compound	astringent; marine metabolite	low
acetopyrrothine	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	low
2-bromophenol	bromophenol	marine metabolite	low
2,4-di-tert-butylphenol	alkylbenzene; phenols	antioxidant; bacterial metabolite; marine metabolite	low
4-bromophenol	bromophenol	human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite	low
ethylene dibromide	bromoalkane; bromohydrocarbon	algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen	low
indole-3-carbaldehyde	heteroarenecarbaldehyde; indole alkaloid; indoles	bacterial metabolite; human xenobiotic metabolite; marine metabolite; plant metabolite	low
2,6-dibromophenol	bromohydrocarbon; dibromophenol	marine metabolite	low
2,4-dibromophenol	brominated flame retardant; bromophenol; dibromobenzene	marine metabolite	low
dibromoacetic acid	2-bromocarboxylic acid; monocarboxylic acid	apoptosis inducer; geroprotector; marine metabolite	low
dimethylpropiothetin	sulfonium betaine	marine metabolite; osmolyte	low
4-amino-2,6-dinitrotoluene	amino-nitrotoluene	explosive; fungal xenobiotic metabolite; marine metabolite	low
pyoluteorin	aromatic ketone; beta-hydroxy ketone; diol; organochlorine compound; organochlorine pesticide; polyketide; pyrroles; resorcinols	antibacterial agent; antifungal agent; apoptosis inducer; bacterial metabolite; marine metabolite	low
norsalsolinol	isoquinolinol	animal metabolite; apoptosis inducer; human metabolite; marine metabolite	low
viridicatin	hydroxyquinoline	antibacterial agent; Aspergillus metabolite; marine metabolite; Penicillium metabolite	low
beta-aminoglutaric acid	dicarboxylic acid	algal metabolite; marine metabolite	low
caldopentamine	polyazaalkane; primary amino compound; secondary amino compound	marine metabolite	low
n-acetyldopamine	acetamides; catechols; N-(fatty acyl)-dopamine; secondary carboxamide	human urinary metabolite; marine metabolite	low
arsenocholine	arsonium ion; organoarsenic compound	human urinary metabolite; marine metabolite; xenobiotic	low
geographutoxin i	organic heterotricyclic compound	marine metabolite	low
ecteinascidin 743	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	low
11-hydroxytestosterone	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid	bacterial xenobiotic metabolite; human xenobiotic metabolite; marine metabolite	low
echinuline	2,5-diketopiperazines; indole alkaloid; indoles; olefinic compound	Aspergillus metabolite; marine metabolite; plant metabolite	low
n-acetyltyramine	acetamides; tyramines	animal metabolite; Aspergillus metabolite; bacterial metabolite; marine metabolite; quorum sensing inhibitor	low
ovothiol c	aryl thiol; L-alpha-amino acid zwitterion; L-histidine derivative	antioxidant; marine metabolite; radical scavenger	low
ovothiol a	aryl thiol; L-alpha-amino acid zwitterion; L-histidine derivative; non-proteinogenic L-alpha-amino acid	antioxidant; marine metabolite; radical scavenger	low
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene	monoterpenoid; organobromine compound; organochlorine compound	algal metabolite; antineoplastic agent; marine metabolite	low
n-palmitoylglycine	fatty amide; N-acylglycine 16:0	human metabolite; marine metabolite	low
altritol	hexitol	algal metabolite; marine metabolite	low
allocholic acid	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; allo-bile acid; C24-steroid	human metabolite; marine metabolite; rat metabolite	low
deferrioxamine e	cyclic desferrioxamine; cyclic hydroxamic acid; macrocycle	antineoplastic agent; bacterial metabolite; marine metabolite; siderophore	low
fonsecin	aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols	Aspergillus metabolite; marine metabolite	low
adrenosterone	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	low
bromodeoxytopsentin	aromatic ketone; bromoindole; imidazoles; indole alkaloid	antibacterial agent; EC 2.7.1.40 (pyruvate kinase) inhibitor; marine metabolite	low
okadaic acid	polycyclic ether	calcium ionophore; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; marine metabolite	low
gamma-sitosterol	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols	marine metabolite; plant metabolite	low
epipinoresinol	pinoresinol	marine metabolite; plant metabolite	low
adefovir	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; organooxygen heterocyclic antibiotic; polyphenol	antimalarial; Aspergillus metabolite; marine metabolite	low
t-muurolol	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	bacterial metabolite; fungicide; marine metabolite; plant metabolite; volatile oil component	low
bryostatin 1	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	low
antheraxanthin	epoxycarotenol	biological pigment; marine metabolite; plant metabolite	low
echinenone	carotenone	animal metabolite; bacterial metabolite; cofactor; marine metabolite	low
brassicasterol	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	low
domoic acid	L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid	algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin	low
flavasperone	aromatic ether; naphtho-gamma-pyrone; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; antiviral agent; Aspergillus metabolite; marine metabolite	low
4-hydroxyretinal	enal; retinoid; secondary allylic alcohol	marine metabolite	low
tetrodotoxin	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker	low
pectenotoxin 2	polycyclic ether; spiroketal	marine metabolite	low
pectenotoxin 1	polycyclic ether; spiroketal	marine metabolite	low
bryostatin 2	bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	antineoplastic agent; marine metabolite; protein kinase C agonist	low
manumycin	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	low
pectenotoxin 6	polycyclic ether; spiroketal	marine metabolite	low
meso-zeaxanthin	carotenol	anti-inflammatory agent; antioxidant; human xenobiotic metabolite; marine metabolite	low
manzamine a	alkaloid; beta-carbolines; isoquinolines	animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite	low
laulimalide	carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol	animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent	low
Ala-Lys	dipeptide	marine metabolite	low
cyclo(leucyl-prolyl)	dipeptide; homodetic cyclic peptide; pyrrolopyrazine	bacterial metabolite; marine metabolite	low
dolastatin 10	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent	low
plitidepsin	didemnin	anticoronaviral agent; antineoplastic agent; marine metabolite	low
jasplakinolide	cyclodepsipeptide; phenols	actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent	low
dysiherbaine	amino dicarboxylic acid; furopyran; hydroxy carboxylic acid; secondary amino compound	animal metabolite; excitatory amino acid agonist; marine metabolite; neurotoxin	low
muromonab-cd3	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	low
emindole SB	terpenoid indole alkaloid	Aspergillus metabolite; marine metabolite; Penicillium metabolite	low
dysidenin	1,3-thiazoles; organochlorine compound; secondary carboxamide; tertiary carboxamide	animal metabolite; marine metabolite; toxin	low
pateamine a	1,3-thiazoles; macrodiolide; olefinic compound; primary amino compound; tertiary amino compound	antineoplastic agent; antiviral agent; eukaryotic initiation factor 4F inhibitor; marine metabolite	low
holomycin	acetamides; dithiolopyrrolone antibiotic	antibacterial agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite	low
jaspamide b	cyclodepsipeptide; organobromine compound	animal metabolite; antineoplastic agent; marine metabolite	low
massadine	alkaloid; guanidines; organobromine compound; pyrrolecarboxamide	animal metabolite; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor; marine metabolite	low
iejimalide b	ether; formamides; macrolide	antineoplastic agent; marine metabolite	low
vibrioferrin	carboxylic ester; N-acyl hemiaminal; pyrrolidin-2-ones; tertiary alcohol; tricarboxylic acid	marine metabolite; siderophore	low
neodysiherbaine a	amino dicarboxylic acid; diol; furopyran; hydroxy carboxylic acid	animal metabolite; excitatory amino acid agonist; marine metabolite	low
adonixanthin	carotenone; cyclic ketone; secondary alcohol	algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite	low
vanchrobactin	catechols; dipeptide; guanidines; monocarboxylic acid; primary alcohol; triol	bacterial metabolite; marine metabolite; siderophore	low
pyranonigrin a	cyclic ketone; enol; gamma-lactam; pyranopyrrole; secondary alcohol	antioxidant; Aspergillus metabolite; marine metabolite	low
dinophysistoxin 1	ketal	animal metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; marine metabolite; toxin	low
decarbamylsaxitoxin	alkaloid; guanidines; ketone hydrate; paralytic shellfish toxin; primary alcohol; pyrrolopurine	bacterial metabolite; marine metabolite; neurotoxin; toxin; xenobiotic	low
scalaradial	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	low
marinopyrrole a	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite	low
papuamide b	cyclodepsipeptide; olefinic compound; secondary alcohol; tertiary alcohol	anti-HIV-1 agent; antineoplastic agent; marine metabolite	low
dibromophakellin	alkaloid; guanidines; organobromine compound	alpha-adrenergic agonist; animal metabolite; marine metabolite	low
debromoaplysiatoxin	aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal	algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist	low
tropodithietic acid	cyclic ketone; monocarboxylic acid; organic disulfide; organic heterobicyclic compound; organosulfur heterocyclic compound	antibacterial agent; bacterial metabolite; marine metabolite; signalling molecule; toxin	low
aplysiatoxin	aplysiatoxins; bromophenol; cyclic hemiketal; ether; organic heterotricyclic compound; secondary alcohol; spiroketal	algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist	low
gonyautoxin v	organic heterotricyclic compound; paralytic shellfish toxin	marine metabolite	low
crambescidin 800	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	low
aspulvinone E	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	low
saxitoxin	alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine	cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin	low
gonyautoxin ii	organic heterotricyclic compound; paralytic shellfish toxin	marine metabolite	low
chrysogine	cyclic amide; quinazoline alkaloid; quinazolines; secondary alcohol; secondary amide	Aspergillus metabolite; biological pigment; marine metabolite	low
cerulomycin	aldoxime; aromatic ether; bipyridines; pyridine alkaloid	antineoplastic agent; bacterial metabolite; marine metabolite	low

Substance	Classes	Roles	Relationship Strength
3-hydroxybenzyl alcohol	hydroxybenzyl alcohol; phenols	metabolite	low
4-hydroxymandelic acid	2-hydroxy carboxylic acid; phenols	metabolite	low
aristolochic acid i	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	low
sulfosalicylic acid	arenesulfonic acid; benzoic acids; phenols	metabolite	low
mequinol	methoxybenzenes; phenols	metabolite	low
plumbagin	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite	low
paeonol	methoxybenzenes; phenols	metabolite	low
isobarbaloin	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite	low
4-octylphenol	phenols	metabolite; surfactant; xenoestrogen	low
hydroxyphenytoin	imidazolidine-2,4-dione; phenols	metabolite	low
raspberry ketone	methyl ketone; phenols	androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite	low
laurolitsine	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite	low
xanthurenic acid 8-methyl ether	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite	low
alpha-peltatin	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; metabolite	low
p-methoxy-n-methylphenethylamine	aromatic ether; secondary amino compound	metabolite	low
aristolochic acid ii	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	low
tephrosin	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide	low
maculosin	dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine	metabolite	low
4'-demethylpodophyllotoxin	furonaphthodioxole; organic heterotetracyclic compound; phenols	metabolite	low
yakuchinone-a	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
marsupsin	1-benzofurans; aromatic ether; polyphenol	antilipemic drug; hypoglycemic agent; metabolite	low
6,6'-bieckol	aromatic ether; oxacycle; phlorotannin	anti-HIV-1 agent; metabolite; radical scavenger	low
aclacinomycin	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite	low
endocrocin	monocarboxylic acid; phenols; trihydroxyanthraquinone	metabolite	low
sulochrin	benzophenones; carboxylic ester; phenols	metabolite	low
isohomovanillic acid	aromatic ether; phenols; phenylacetic acids	metabolite	low
4-amino-2-methoxypyrimidine	aminopyrimidine; aromatic ether; methylcytosine	metabolite	low
aristolochic acid D	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; nephrotoxin; toxin	low
aristolochic acid c	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	low
silychristin	1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger	low
abyssinone v	4'-hydroxyflavanones; phenols; trihydroxyflavanone	metabolite	low
cleomiscosin a	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite	low
pyochelin	monocarboxylic acid; phenols; thiazolidines	metabolite; siderophore	low
petunidin-3-glucoside	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite	low
malvidin-3-glucoside	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite	low
dioncophylline c	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite	low
afimoxifene	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite	low
3-hydroxyhippuric acid	N-acylglycine; phenols	metabolite	low
glycyrin	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite	low
2-hydroxycinnamic acid	2-coumaric acid; phenols	antioxidant; metabolite	low
xanthohumol	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite	low
curcumin	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	low
dieckol	aromatic ether; oxacycle; phlorotannin	anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger	low
tamoxifen n-oxide	aromatic ether; tertiary amine oxide	anti-estrogen; metabolite	low
daphnoretin	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite	low
hinokiflavone	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent	low
euxanthone	phenols; xanthones	metabolite; plant metabolite	low
swerchirin	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite	low
wedelolactone	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite	low
methyl brevifolincarboxylate	cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols	EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent	low
3-deoxysappanchalcone	chalcones; monomethoxybenzene; phenols	metabolite	low
macluraxanthone b	phenols; xanthones	anti-HIV agent; antineoplastic agent; metabolite	low
flavokawain b	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite	low
alternariol	benzochromenone; phenols	EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin	low
1,7-dihydroxy-4-methoxyxanthone	aromatic ether; phenols; xanthones	metabolite; plant metabolite	low
monorden	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor	low
fr 148083	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor	low
9-methoxycanthin-6-one	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite	low
rubraxanthone	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite	low
ancistroealaine a	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug	low
arisugacin	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite	low
lactonamycin	gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative	antibacterial agent; antimicrobial agent; metabolite	low
dihydroxanthohumol	aromatic ether; dihydrochalcones; polyphenol	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
7-phloroeckol	aromatic ether; phlorotannin	antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite	low
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite	low
laurinterol	organobromine compound; phenols; sesquiterpenoid	antibacterial agent; apoptosis inducer; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite	low
ceratamine a	alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine	antimitotic; metabolite	low
diversonol	phenols; tertiary alcohol	antibacterial agent; metabolite	low
alloin	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite	low
shamixanthone	cyclic ketone; phenols; pyranoxanthene	metabolite	low
respirantin	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite	low
interiotherin b	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite	low
bromophycolide a	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite	low
hordatine a	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite	low
callipeltin a	cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols	anti-HIV-1 agent; antifungal agent; metabolite	low
4-hydroxyphenylacetic acid	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite	low
psilocin	hydroxyindoles; phenols; tertiary amino compound; tryptamine alkaloid	drug metabolite; fungal metabolite; hallucinogen; human xenobiotic metabolite; serotonergic agonist	low
4-hydroxyphenylethanol	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent	low
rubrofusarin	aromatic ether; benzochromenone; phenols; polyketide	biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; fungal metabolite	low
emodin anthrone	anthracenone; phenols	fungal metabolite	low
2,5-dihydroxybenzyl alcohol	aromatic primary alcohol; phenols	antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite	low
alternariol monomethyl ether	aromatic ether; benzochromenone	antifungal agent; fungal metabolite; mycotoxin	low
altenusin	aromatic ether; carboxybiphenyl; catechols; hydroxybiphenyls; polyphenol	antifungal agent; fungal metabolite	low
tmc-95a	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor	low
hypothemycin	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite	low
tmc-95b	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor	low
2,4-di-tert-butylphenol	alkylbenzene; phenols	antioxidant; bacterial metabolite; marine metabolite	low
fonsecin	aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols	Aspergillus metabolite; marine metabolite	low
adefovir	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; organooxygen heterocyclic antibiotic; polyphenol	antimalarial; Aspergillus metabolite; marine metabolite	low
flavasperone	aromatic ether; naphtho-gamma-pyrone; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; antiviral agent; Aspergillus metabolite; marine metabolite	low
jasplakinolide	cyclodepsipeptide; phenols	actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent	low
marinopyrrole a	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite	low
debromoaplysiatoxin	aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal	algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist	low
cerulomycin	aldoxime; aromatic ether; bipyridines; pyridine alkaloid	antineoplastic agent; bacterial metabolite; marine metabolite	low

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	2010's	post-2020
ciprofloxacin	2	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	2013	2016	9.5	low	2	0
chrysophanic acid	1	dihydroxyanthraquinone	anti-inflammatory agent; antiviral agent; plant metabolite	2021	2021	3.0	low	0	1
orcinol	1	5-alkylresorcinol; dihydroxytoluene	Aspergillus metabolite	2017	2017	7.0	low	1	0
physcione	1	dihydroxyanthraquinone	anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite	2021	2021	3.0	low	0	1
orsellinic acid	1	dihydroxybenzoic acid; resorcinols	fungal metabolite; marine metabolite; metabolite	2017	2017	7.0	low	1	0
methyl orsellinate	1	hydroxybenzoic acid	metabolite	2017	2017	7.0	medium	1	0
lecanoric acid	1	benzoate ester		2017	2017	7.0	low	1	0
versicolorin c	1	cyclic acetal; organic heteropentacyclic compound; p-quinones; polyphenol	Aspergillus metabolite	2021	2021	3.0	medium	0	1
moxifloxacin	1	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug	2016	2016	8.0	low	1	0
versiconol	1	versiconol		2017	2017	7.0	high	1	0
sorafenib	1	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor	2013	2013	11.0	low	1	0
ergosterol	2	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite	2016	2021	5.5	low	1	1
notoamide b	1			2013	2013	11.0	medium	1	0
violaceol II	2	aromatic ether; catechols; resorcinols	mycotoxin	2016	2017	7.5	high	2	0
(+)-(7S)-sydonic acid	1	aromatic alcohol; monohydroxybenzoic acid; sesquiterpenoid	Aspergillus metabolite	2013	2013	11.0	high	1	0
ascorbic acid	1	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent	2017	2017	7.0	low	1	0
oxaline	1			2016	2016	8.0	medium	1	0
acyclovir	1	2-aminopurines; oxopurine	antimetabolite; antiviral drug	2017	2017	7.0	low	1	0
rifampin	1	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	2016	2016	8.0	low	1	0

Condition	Indicated	Studies	First Year	Last Year	Average Age	Relationship Strength	Trials	pre-1990	1990's	2000's	2010's	post-2020

diorcinol

Description

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Synonyms (14)

Roles (3)

Drug Classes (2)

Bioassays (19)

Research

Studies (5)

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