albonoursin

Description

albonoursin: structure [MeSH]

albonoursin : A member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which the two hydrogen at position 3 and those at position 6 are replaced by benzylidene and isobutylidene groups (the 3Z,6Z-geoisomer). [CHeBI]

Cross-References

ID Source	ID
PubMed CID	6109346
CHEMBL ID	455787
SCHEMBL ID	13360291
CHEBI ID	71609
MeSH ID	M0049026

Synonyms (23)

Synonym
2,5-piperazinedione, 3-benzylidene-6-isobutylidene-
3-benzylidene-6-isobutylidene-2,5-dioxopiperazine
b-73
albonoursin
2,5-piperazinedione, 3-(2-methylpropylidene)-6-(phenylmethylene)-, (z,z)-
albonursin
p-42-2
albonoursine
c15h16n2o2
chebi:71609 ,
CHEMBL455787
(3z,6z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione
1222-90-8
C20520
cyclo(deltaleu-deltaphe)
cyclo(dehydroleucyl-dehydrophenylalanyl)
cyclo(dehydrophenylalanyl-dehydroleucyl)
cyclo(deltaphe-deltaleu)
SCHEMBL13360291
Q27139752
(3e,6e)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione
DTXSID801318208
AKOS040746523

Roles (1)

Role	Description
metabolite	Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Drug Classes (1)

Class	Description
2,5-diketopiperazines	Any piperazinone that has a piperazine-2,5-dione skeleton.

Bioassays (2)

Assay ID	Title	Year	Journal	Article
AID334550	Cytotoxicity against human SH-SY5Y cells overexpressing dominant negative mutant of p53 upto 100 uM	2002	Journal of natural products, May, Volume: 65, Issue:5 ISSN: 0163-3864	Isolation of streptonigrin and its novel derivative from Micromonospora as inducing agents of p53-dependent cell apoptosis.
AID334549	Cytotoxicity against human wild type SH-SY5Y cells upto 100 uM	2002	Journal of natural products, May, Volume: 65, Issue:5 ISSN: 0163-3864	Isolation of streptonigrin and its novel derivative from Micromonospora as inducing agents of p53-dependent cell apoptosis.

Research

Studies (6)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	1 (16.67)	18.2507
2000's	5 (83.33)	29.6817
2010's	0 (0.00)	24.3611
2020's	0 (0.00)	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	6 (100.00%)	84.16%

Substance	Classes	Roles	Relationship Strength
2,5-dioxopiperazine	2,5-diketopiperazines; cyclic peptide		low
cyclo(phenylalanyl-phenylalanyl)	2,5-diketopiperazines		low
echinuline	2,5-diketopiperazines; indole alkaloid; indoles; olefinic compound	Aspergillus metabolite; marine metabolite; plant metabolite	low
cyclo(tyrosyl-tyrosyl)	2,5-diketopiperazines		low
rhodotorulic acid	2,5-diketopiperazines; hydroxamic acid; L-ornithine derivative	fungal metabolite; siderophore	low
cyclo(leucyl-phenylalanyl)	2,5-diketopiperazines	metabolite	low
npi 2358	2,5-diketopiperazines; benzenes; imidazoles; olefinic compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent	low
tardioxopiperazine a	2,5-diketopiperazines		low
cyclo(L-tryptophyl-L-alanyl)	2,5-diketopiperazines		low
n(alpha)-acetylfusarinines	2,5-diketopiperazines; acetamides; carboxylic ester; homoallylic alcohol; hydroxamic acid; primary alcohol	siderophore	low
preechinulin	2,5-diketopiperazines		low
mycocyclosin	2,5-diketopiperazines; organic heterotetracyclic compound; polyphenol	metabolite	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
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
diorcinol	aromatic ether; phenols	fungal metabolite; marine metabolite; 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

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	Trials	pre-1990	1990's	2000's	2010's	post-2020
cyclo(leucyl-phenylalanyl)	0	2,5-diketopiperazines	metabolite	0	0		low	0	0	0	0	0	0
mycocyclosin	0	2,5-diketopiperazines; organic heterotetracyclic compound; polyphenol	metabolite	0	0		low	0	0	0	0	0	0

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	Trials	pre-1990	1990's	2000's	2010's	post-2020
streptonigrin	1	pyridines; quinolone	antimicrobial agent; antineoplastic agent	2002	2002	22.0	high	0	0	0	1	0	0

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	Trials	pre-1990	1990's	2000's	2010's	post-2020
cyclo(leucyl-phenylalanyl)	1	2,5-diketopiperazines	metabolite	2000	2000	24.0	high	0	0	1	0	0	0
phenylahistin	1			2002	2002	22.0	high	0	0	0	1	0	0

Condition	Indicated	Studies	First Year	Last Year	Average Age	Relationship Strength	Trials	pre-1990	1990's	2000's	2010's	post-2020
Neuroblastoma	0	1	2002	2002	22.0	high	0	0	0	1	0	0

albonoursin

Description

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Synonyms (23)

Roles (1)

Drug Classes (1)

Bioassays (2)

Research

Studies (6)

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