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salannin

Description

salannin: from seeds of neem tree, Azadirachta indica; inhibits 20-monooxygenase; structure given in first source [MeSH]

salannin : A limonoid with insecticidal activity isolated from Azadirachta indica. [CHeBI]

Cross-References

ID Source	ID
PubMed CID	6437066
CHEMBL ID	3823041
SCHEMBL ID	19588463
CHEBI ID	67309
MeSH ID	M0275946

Synonyms (21)

Synonym
992-20-1
salannin
CHEBI:67309
(2ar,3r,5s,5ar,6r,6ar,8r,9ar,10as,10br,10cr)-3-(acetyloxy)-8-(furan-3-yl)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2h,3h-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl (2e)-2-methylbut-2-enoate
bdbm92411
azadirachtin, neem
caswell no. 594a
azadriactin
2h,3h-cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 3-(acetyloxy)-8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2a,5a,6a,7-tetramethyl-5-(((2e)-2-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (2ar,3r,5s,5ar,6r,6ar,8r,9ar,10as,10br
2h,3h-cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 3-(acetyloxy)-8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2a,5a,6a,7-tetramethyl-5-((2-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (2aalpha,3beta,5beta(e), 5aalpha,6alpha,6aa
DTXSID6058500
CHEMBL3823041
SCHEMBL19588463
salannin(p)
[(1r,2s,4r,6r,9r,10r,11r,12s,14r,15r,18r)-14-acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (e)-2-methylbut-2-enoate
Q27104942
HY-123026
margosan-o; azadriactin
CS-0079900
MS-30583
AKOS040753900

Roles (3)

Role	Description
insect growth regulator	A growth regulator that inhibits the life cycle of an insect.
antifeedant	A substance that prevents pests from feeding.
plant metabolite	Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Drug Classes (5)

Class	Description
acetate ester	Any carboxylic ester where the carboxylic acid component is acetic acid.
furans	Compounds containing at least one furan ring.
limonoid	Any triterpenoid that is highly oxygenated and has a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. The term 'limonoid' comes from limonin, the first tetranortriterpenoid obtained from citrus bitter principles.
organic heteropentacyclic compound
methyl ester	Any carboxylic ester resulting from the formal condensation of a carboxy group with methanol.

Protein Targets (1)

Inhibition Measurements

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
Macrophage migration inhibitory factor	Homo sapiens (human)	IC50	90.0000	AID1799767

Bioassays (2)

Assay ID	Title	Year	Journal	Article
AID1799767	Tautomerase Activity Assay from Article 10.1074/jbc.M112.341321: \\Novel Anti-inflammatory Activity of Epoxyazadiradione against Macrophage Migration Inhibitory Factor: INHIBITION OF TAUTOMERASE AND PROINFLAMMATORY ACTIVITIES OF MACROPHAGE MIGRATION INHIBI	2012	The Journal of biological chemistry, Jul-13, Volume: 287, Issue:29 ISSN: 1083-351X	Novel anti-inflammatory activity of epoxyazadiradione against macrophage migration inhibitory factor: inhibition of tautomerase and proinflammatory activities of macrophage migration inhibitory factor.
AID1311321	Osteogenic activity in rat primary calvarial osteoblasts at 1 pM after 48 hrs by ALP-based colorimetric assay	2016	Bioorganic & medicinal chemistry letters, 08-01, Volume: 26, Issue:15 ISSN: 1464-3405	Azadirachta indica triterpenoids promote osteoblast differentiation and mineralization in vitro and in vivo.

Research

Studies (14)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	2 (14.29)	18.2507
2000's	6 (42.86)	29.6817
2010's	6 (42.86)	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	14 (100.00%)	84.16%

Substance	Classes	Roles	Relationship Strength
4-methylumbelliferyl acetate	acetate ester; coumarins	plant metabolite	low
methacholine	acetate ester; quaternary ammonium ion	bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent	low
dilacor xr	acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound		low
brl 42810	2-aminopurines; acetate ester	antiviral drug; prodrug	low
hydroxy-2-naphthalenyl-methyl phosphonic acid trisacetoxymethylester	acetate ester; naphthalenes; organic phosphonate	tyrosine kinase inhibitor	low
norethindrone acetate	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive	low
methylprednisolone acetate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; glucocorticoid; steroid ester; tertiary alpha-hydroxy ketone	anti-inflammatory drug	low
vincristine	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	low
medroxyprogesterone acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive	low
methyl acetate	acetate ester; methyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; fragrance; polar aprotic solvent	low
thiopropazate	acetate ester; N-alkylpiperazine; organochlorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug	low
2-phenylethyl acetate	acetate ester	metabolite; Saccharomyces cerevisiae metabolite	low
vinyl acetate	acetate ester		low
propyl acetate	acetate ester	fragrance; plant metabolite	low
isobutyl acetate	acetate ester	Saccharomyces cerevisiae metabolite	low
octyl acetate	acetate ester	plant metabolite	low
linalyl acetate	acetate ester; monoterpenoid		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
citronellyl acetate	acetate ester; monoterpenoid	plant metabolite	low
cyproterone acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin	low
megestrol acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive	low
amyl acetate	acetate ester	metabolite	low
azaribine	acetate ester; N-glycosyl-1,2,4-triazine	antipsoriatic; prodrug	low
pn 401	acetate ester; uridines	neuroprotective agent; orphan drug; prodrug	low
tetradecanoylphorbol acetate	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator	low
butyl acetate	acetate ester	metabolite	low
isoamyl acetate	acetate ester	metabolite; Saccharomyces cerevisiae metabolite	low
metipranolol	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist	low
vecuronium	acetate ester; androstane; quaternary ammonium ion	drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist	low
colforsin	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist	low
5-bromo-4-chloroindoxyl acetate	acetate ester; bromoindole; chloroindole	chromogenic compound	low
baccatin iii	acetate ester; benzoate ester; tetracyclic diterpenoid	plant metabolite	low
diflorasone diacetate	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; glucocorticoid	anti-inflammatory drug; antipruritic drug	low
chloramphenicol 3-acetate	acetate ester		low
asperuloside	acetate ester; beta-D-glucoside; gamma-lactone; iridoid monoterpenoid; monosaccharide derivative	metabolite	low
nisone	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; steroid ester; tertiary alpha-hydroxy ketone		low
acequinocyl	1,4-naphthoquinones; acetate ester	acaricide; mitochondrial cytochrome-bc1 complex inhibitor	low
poly-o-acetylserine	acetate ester; acetyl-L-serine; amino acid zwitterion	bacterial metabolite; Saccharomyces cerevisiae metabolite	low
1,9-dideoxyforskolin	acetate ester; labdane diterpenoid; organic heterotricyclic compound	plant metabolite	low
versiconal hemiacetal acetate	acetate ester; anthrafuran; lactol; palmitoyl amino acid; polyphenol	metabolite	low
nimbin	acetate ester; cyclic terpene ketone; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	pesticide; plant metabolite	low
ecteinascidin 743	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite	low
1'-acetoxychavicol acetate	acetate ester; phenylpropanoid	antineoplastic agent; NF-kappaB inhibitor; plant metabolite	low
5-chloromethylfluorescein diacetate	acetate ester	fluorochrome	low
ay 25545	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
ulipristal acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester; tertiary amino compound	contraceptive drug; progesterone receptor modulator; progestin	low
columbianetin acetate	acetate ester; furanocoumarin	plant metabolite	low
acetyl aleuritolic acid	acetate ester; monocarboxylic acid; pentacyclic triterpenoid	antineoplastic agent; plant metabolite	low
taxusin	acetate ester; carbotricyclic compound; taxane diterpenoid	metabolite	low
eslicarbazepine acetate	acetate ester; carboxamide; dibenzoazepine; ureas	anticonvulsant; drug allergen	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
troleandomycin	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic	low
fludrocortisone acetate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; fluorinated steroid; mineralocorticoid; tertiary alpha-hydroxy ketone		low
vincaleukoblastine	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite	low
acetylstrophanthidin	acetate ester	anti-arrhythmia drug	low
wortmannin	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent	low
rosiglitazone	acetate ester; coumarins; diester	pro-angiogenic agent; radical scavenger	low
calcein am	2-benzofurans; acetate ester; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; xanthene dye	fluorochrome	low
pancuronium	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist	low
rocuronium	3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound	drug allergen; muscle relaxant; neuromuscular agent	low
deltaline	acetate ester; cyclic acetal; diterpene alkaloid; organic polycyclic compound; tertiary alcohol; tertiary amino compound		low
amcinonide	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; corticosteroid; fluorinated steroid; spiroketal	anti-inflammatory drug	low
betamethasone acetate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; steroid ester; tertiary alpha-hydroxy ketone		low
colforsin daropate	acetate ester; carboxylic ester; cyclic ketone; diol; organic heterotricyclic compound; tertiary amino compound	adenylate cyclase agonist; antihypertensive agent; cardiotonic drug; vasodilator agent	low
gs 4071	acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite	low
3-mercaptohexyl acetate	acetate ester; alkanethiol	Saccharomyces cerevisiae metabolite	low
retinol acetate	acetate ester		low
pedilstatin	acetate ester; phorbol ester; primary allylic alcohol	plant metabolite	low
geranyl acetate	acetate ester; monoterpenoid	plant metabolite	low
cholesterol acetate	acetate ester; cholesteryl ester	human metabolite	low
helvolic acid	3-oxo-Delta(1) steroid; acetate ester; monocarboxylic acid; steroid acid	antibacterial agent; fungal metabolite; mycotoxin	low
bigelovin	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite	low
bryostatin 1	acetate ester; bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	alpha-secretase activator; anti-HIV-1 agent; antineoplastic agent; marine metabolite; protein kinase C agonist	low
azadirachtin	acetate ester; azadirachtin; cyclic hemiketal; enoate ester; epoxide; methyl ester; organic heterotetracyclic compound; secondary alcohol; tertiary alcohol	hepatoprotective agent	low
cinnamyl acetate	acetate ester	plant metabolite	low
josamycin	acetate ester; aldehyde; disaccharide derivative; glycoside; macrolide antibiotic; tertiary alcohol; tertiary amino compound	antibacterial drug; metabolite	low
acetylspiramycin	acetate ester; aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite	low
t-2 toxin	acetate ester; organic heterotetracyclic compound; trichothecene	apoptosis inducer; cardiotoxic agent; DNA synthesis inhibitor; environmental contaminant; fungal metabolite; mycotoxin; neurotoxin	low
vinorelbine	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent	low
11-cis-vaccenyl acetate	acetate ester		low
cis-3-hexenyl acetate	acetate ester; olefinic compound	metabolite	low
rifamycin b	acetate ester; carboxylic acid; organic heterotetracyclic compound; rifamycins		low
rifamycin sv	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite	low
rifaximin	acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative	antimicrobial agent; gastrointestinal drug; orphan drug	low
squalestatin 1	acetate ester; cyclic ketal; oxabicycloalkane; polyketide; tertiary alcohol; tricarboxylic acid	EC 2.5.1.21 (squalene synthase) inhibitor; fungal metabolite	low
yunaconitine	acetate ester; aromatic ether; benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound	antifeedant; human urinary metabolite; phytotoxin; plant metabolite; xenobiotic	low
prasugrel	acetate ester; cyclopropanes; ketone; monofluorobenzenes; tertiary amino compound; thienopyridine		low
bornyl acetate	acetate ester; monoterpenoid		low
grayanotoxin i	acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid	antihypertensive agent; metabolite; neuromuscular agent; phytotoxin	low
px-866	acetate ester; delta-lactone; organic heterotetracyclic compound; tertiary amino compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
cerberin	acetate ester; cardenolide glycoside; monosaccharide derivative	antineoplastic agent; metabolite	low
HT-2 toxin	acetate ester; organic heterotetracyclic compound; trichothecene	apoptosis inducer; fungal metabolite	low
16-acetylgitoxin	acetate ester; cardenolide glycoside		low
fr 901464	acetate ester; cyclic hemiketal; monocarboxylic acid amide; pyrans; spiro-epoxide	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
vinflunine	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent	low
azadirone	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	antineoplastic agent; antiplasmodial drug; plant metabolite	low
bielschowskysin	acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound	antimalarial; antineoplastic agent; metabolite	low
zaragozic acid c	acetate ester; cyclic ketal; oxabicycloalkane; polyketide; tertiary alcohol; tricarboxylic acid	EC 2.5.1.21 (squalene synthase) inhibitor; fungal metabolite	low
gedunin	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite	low
azadiradione	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	anti-inflammatory agent; antimycobacterial drug; plant metabolite	low
phentin acetate	acetate ester; organotin compound	antifungal agrochemical	low
deoxyaconitine	acetate ester; benzoate ester; bridged compound; diol; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary amino compound	plant metabolite	low
scalaradial	acetate ester; carbotetracyclic compound; dialdehyde; enal; scalarane sesterterpenoid	animal metabolite; anti-inflammatory agent; apoptosis inducer; EC 3.1.1.4 (phospholipase A2) inhibitor; marine metabolite; TRP channel blocker	low
euonine	acetate ester; dihydroagarofuran sesquiterpenoid; macrolide; pyridine alkaloid; sesquiterpene alkaloid	immunosuppressive agent; insecticide; plant metabolite	low
epoxyazadiradione	acetate ester; cyclic terpene ketone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; insecticide; plant metabolite	low
sm 1 peptide	acetate ester; ergot alkaloid	metabolite	low
wilforgine	acetate ester; dihydroagarofuran sesquiterpenoid; furans; macrocyclic lactone; organic heteropentacyclic compound; pyridine alkaloid	plant metabolite	low
cgs 15943	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant	low
furosemide	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic	low
kinetin	6-aminopurines; furans	cytokinin; geroprotector	low
prazosin	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor	low
resmethrin	cyclopropanecarboxylate ester; furans	agrochemical; pyrethroid ester insecticide	low
terazosin	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent	low
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent	low
furfuryl alcohol	furans; primary alcohol	Maillard reaction product	low
furaldehyde	aldehyde; furans	Maillard reaction product; metabolite	low
maleic anhydride	cyclic dicarboxylic anhydride; furans	allergen	low
furan	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product	low
2-methylfuran	furans; volatile organic compound	flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite	low
5-methyl-2-furfural	aldehyde; furans	EC 2.2.1.6 (acetolactate synthase) inhibitor; flavouring agent; human metabolite; Maillard reaction product	low
2,5-dimethylfuran	furans	antifungal agent; bacterial metabolite; fuel; fumigant; human urinary metabolite; Maillard reaction product; plant metabolite	low
5-nitro-2-furaldehyde	C-nitro compound; furans		low
3-methylfuran	furans; volatile organic compound	Aspergillus metabolite; environmental contaminant; fungal metabolite; Penicillium metabolite; plant metabolite	low
2-acetylfuran	aromatic ketone; furans; methyl ketone		low
2-ethylfuran	furans; volatile organic compound	bacterial metabolite; fragrance; Maillard reaction product; plant metabolite	low
furaneol	cyclic ketone; enol; furans	flavouring agent; fragrance; plant metabolite	low
diloxanide furoate	carboxylic ester; furans; organochlorine compound; tertiary carboxamide	antiamoebic agent; prodrug	low
2-pentylfuran	furans	Aspergillus metabolite; bacterial metabolite; flavouring agent; human urinary metabolite; insect repellent; plant growth stimulator; volatile oil component	low
fuberidazole	benzimidazole fungicide; benzimidazoles; furans	antifungal agrochemical	low
furoylglycine	furans; N-acylglycine	human metabolite	low
N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furanyl)methanimine	C-nitro compound; furans		low
4-hydroxy-2-ethyl-5-methyl-3(2h)-furanone	cyclic ketone; enol; furans	Saccharomyces cerevisiae metabolite	low
furalaxyl	alanine derivative; aromatic amide; carboxamide; furans; methyl ester		low
2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole	C-nitro compound; furans		low
perillene	furans; monoterpenoid	fragrance; metabolite; semiochemical	low
2,5-diformylfuran	arenecarbaldehyde; dialdehyde; furans		low
2,5-bis(hydroxymethyl)furan	diol; furans		low
2,5-furandicarboxylic acid	dicarboxylic acid; furans	human urinary metabolite	low
cafestol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite	low
kahweol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite	low
cyclazosin	aromatic amide; aromatic ether; furans; monocarboxylic acid amide; quinazolines; quinoxaline derivative	adenosine A2A receptor antagonist	low
bioresmethrin	furans; resmethrin	pyrethroid ester insecticide	low
limonin	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component	low
lapatinib	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
5-hydroxymethylfurfural	arenecarbaldehyde; furans; primary alcohol	indicator; Maillard reaction product	low
N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-1-isoquinolinecarboxamide	aromatic amide; furans		low
N-[2,5-diethoxy-4-[[2-(3-methoxyphenyl)-1-oxoethyl]amino]phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[4-[oxo-(2-pyridinylamino)methyl]phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[2,5-dimethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[2-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[2-methoxy-4-[[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[3-chloro-4-(4-morpholinyl)phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-2-furancarboxamide	aromatic amide; furans		low
6-cyclohexyl-3-furan-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole	furans; triazolothiadiazole	Wnt signalling inhibitor	low
5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[4-(diethylamino)phenyl]-2-furancarboxamide	aromatic amide; furans		low
3-[[2-benzofuranyl(oxo)methyl]amino]benzoic acid ethyl ester	aromatic amide; furans		low
5-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-furancarboxamide	aromatic amide; furans		low
4-[[2-furanyl(oxo)methyl]amino]benzoic acid propan-2-yl ester	aromatic amide; furans; isopropyl ester; secondary carboxamide		low
N-(2,5-dimethylphenyl)-2-benzofurancarboxamide	aromatic amide; furans		low
N-(4-methoxyphenyl)-2-benzofurancarboxamide	aromatic amide; furans		low
5-bromo-N-(2,4-dichlorophenyl)-2-furancarboxamide	aromatic amide; furans		low
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide	aromatic amide; furans		low
2-hydroxy-5-[[(5-methyl-2-furanyl)-oxomethyl]amino]benzoic acid	aromatic amide; furans		low
N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-5-nitro-2-furancarboxamide	aromatic amide; furans		low
3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]benzoic acid	aromatic amide; furans		low
5-bromo-N-(4-propan-2-ylphenyl)-2-furancarboxamide	aromatic amide; furans		low
N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide	C-nitro compound; furans		low
N-(4-bromo-2-fluorophenyl)-2-methyl-3-furancarboxamide	aromatic amide; furans		low
2-[[(5-bromo-2-furanyl)-oxomethyl]amino]benzoic acid	aromatic amide; furans		low
N-(4-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide	C-nitro compound; furans		low
N-(2-chlorophenyl)-5-nitro-2-furancarboxamide	aromatic amide; furans		low
N-(3-hydroxyphenyl)-5-methyl-3-furancarboxamide	aromatic amide; furans		low
N-[3-[(1,3-dioxo-5-isoindolyl)oxy]phenyl]-2-furancarboxamide	aromatic amide; furans		low
2-methyl-N-(2,4,6-trimethylphenyl)-3-furancarboxamide	aromatic amide; furans		low
3-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-methylbenzoic acid	aromatic amide; furans		low
N-[3-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-2-furancarboxamide	aromatic amide; furans		low
5-chloro-N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-3-methyl-2-benzofurancarboxamide	aromatic amide; furans		low
N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonyl-2-furancarboxamide	aromatic amide; furans		low
5-[(2,4-dichlorophenoxy)methyl]-N-(2-fluorophenyl)-2-furancarboxamide	aromatic amide; furans		low
5-(4-bromophenyl)-N-(2-methoxyphenyl)-2-furancarboxamide	aromatic amide; furans		low
5-bromo-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[4-[[2-furanyl(oxo)methyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide	aromatic amide; furans		low
5-nitro-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[4-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[3-chloro-4-[[2-furanyl(oxo)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide	aromatic amide; furans		low
N-[2,5-diethoxy-4-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[2,5-diethoxy-4-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide	aromatic amide; furans		low
5-bromo-N-[3-chloro-2-(1-pyrrolidinyl)phenyl]-2-furancarboxamide	aromatic amide; furans		low
5-methyl-N-[2-(methylthio)phenyl]-2-furancarboxamide	aromatic amide; furans		low
propanoic acid [4-[[2-furanyl(oxo)methyl]amino]phenyl] ester	aromatic amide; furans		low
N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[3-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamide	aromatic amide; furans		low
5-(2-chlorophenyl)-N-phenyl-2-furancarboxamide	aromatic amide; furans		low
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide	aromatic amide; furans		low
5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,5-dimethylphenyl)-3-methyl-2-furancarboxamide	aromatic amide; furans		low
5-(4-chlorophenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide	aromatic amide; furans		low
2-[[2-furanyl(oxo)methyl]amino]benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester	aromatic amide; furans		low
N-(4-acetylphenyl)-5-[(phenylthio)methyl]-2-furancarboxamide	aromatic amide; furans		low
N-(4-methoxyphenyl)-5-(phenoxymethyl)-2-furancarboxamide	aromatic amide; furans		low
4-[[(2-methyl-3-furanyl)-oxomethyl]amino]benzoic acid butyl ester	aromatic amide; furans		low
4-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid propan-2-yl ester	aromatic amide; furans; isopropyl ester		low
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)-3-furancarboxamide	aromatic amide; furans		low
5-bromo-N-(2-phenylphenyl)-2-furancarboxamide	aromatic amide; furans		low
N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-benzofurancarboxamide	aromatic amide; furans		low
N-[3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamide	aromatic amide; furans		low
5-bromo-N-[2-(4-methyl-1-piperazinyl)phenyl]-2-furancarboxamide	aromatic amide; furans		low
2-[[(2-methyl-3-furanyl)-oxomethyl]amino]benzoic acid	aromatic amide; furans		low
2-[[[5-(3-chlorophenyl)-2-furanyl]-oxomethyl]amino]benzoic acid methyl ester	aromatic amide; furans		low
N-[3-cyano-4,5-bis(4-methoxyphenyl)-2-furanyl]acetamide	furans		low
2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester	aromatic amide; furans		low
N-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)-2-benzofurancarboxamide	aromatic amide; furans		low
5-[2-[[2-[[2-furanyl(oxo)methyl]amino]phenyl]-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester	aromatic amide; furans		low
3-[5-[anilino(oxo)methyl]-2-furanyl]-2-thiophenecarboxylic acid methyl ester	aromatic amide; furans		low
5-(4-morpholinylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]-2-furancarboxamide	aromatic amide; furans		low
5-[[[5-(2-chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester	aromatic amide; furans		low
2-(4-morpholinyl)-5-[[oxo-[2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-3-furanyl]methyl]amino]benzoic acid methyl ester	aromatic amide; furans		low
5-[[[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester	aromatic amide; furans		low
2-[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester	aromatic amide; furans		low
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate	acetylenic compound; furans; organofluorine compound; thioester; triazoles		low
N-(4-methyl-2-nitrophenyl)-2-furancarboxamide	aromatic amide; furans		low
N-(2-hydroxy-5-methylphenyl)-2-furancarboxamide	aromatic amide; furans		low
alanyl-alanyl-alanyl-alanine, (d-ala-l-ala-l-ala-l-ala)-isomer	aromatic amide; furans		low
N-[4-[[[4-(4-methoxyphenyl)-4-oxanyl]methylamino]-oxomethyl]phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-[4-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-2-furancarboxamide	aromatic amide; furans		low
5-[[[2-[[2-furanyl(oxo)methyl]amino]phenyl]-oxomethoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester	aromatic amide; furans		low
ranitidine	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic	low
7-deacetylgedunin	cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; antimalarial; metabolite; plant metabolite	low
N-methyl-5-nitro-N-(phenylmethyl)-2-furancarboxamide	C-nitro compound; furans		low
3-[[5,6-bis(4-methoxyphenyl)-4-furo[2,3-d]pyrimidinyl]amino]-1-propanol	furans		low
N-(4-Butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide	aromatic amide; furans	anticoronaviral agent	low
N-[2-(Cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide	aromatic amide; furans	anticoronaviral agent	low
N-(2,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)-1-oxoethyl]amino]-2-benzofurancarboxamide	aromatic amide; furans		low
N-(2,4-dimethoxyphenyl)-3-[[2-furanyl(oxo)methyl]amino]-2-benzofurancarboxamide	aromatic amide; furans		low
N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-(3-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamide	aromatic amide; furans		low
3-[[2-furanyl(oxo)methyl]amino]-N-(4-methoxyphenyl)-2-benzofurancarboxamide	aromatic amide; furans		low
N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamide	aromatic amide; furans		low
N-(2,3-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide	aromatic amide; furans		low
N-(3,4-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide	aromatic amide; furans		low
2-amino-7-methyl-4-(5-nitro-2-furanyl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile	C-nitro compound; furans		low
nefurthiazole	C-nitro compound; furans		low
N-(2,4-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide	aromatic amide; furans		low
5-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-furancarboxamide	aromatic amide; furans		low
4-hydroxy-5-methyl-3(2h)-furanone	cyclic ketone; enol; furans	metabolite	low
5-bromo-N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-furancarboxamide	aromatic amide; furans		low
N-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-2-furancarboxamide	aromatic amide; furans		low
atractylodin	furans		low
cefuroxime	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen	low
5-(4-methyl-1-naphthalenyl)-N-phenyl-2-furancarboxamide	aromatic amide; furans		low
nitrovin	C-nitro compound; furans		low
dihydroxymethylfuratrizine	C-nitro compound; furans		low
nifurpirinol	C-nitro compound; furans		low
nidroxyzone	C-nitro compound; furans		low
bibw 2992	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
6-deacetylnimbin	cyclic terpene ketone; diester; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	antifeedant; insect growth regulator; plant metabolite	low
salvileucalin b	bridged compound; diterpenoid; furans; gamma-lactone	antineoplastic agent; metabolite	low
5-(2,5-difluorophenyl)-N-(2,6-dimethylphenyl)-2-furancarboxamide	aromatic amide; furans		low
5-(2,5-dichlorophenyl)-N-(2,6-dimethoxyphenyl)-2-furancarboxamide	aromatic amide; furans		low
5-(2,5-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-2-furancarboxamide	aromatic amide; furans		low
5-(2,5-dichlorophenyl)-N-(2,6-diethylphenyl)-2-furancarboxamide	aromatic amide; furans		low
N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamide	aromatic amide; furans		low
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(4-tert-butylphenyl)-2-furancarboxamide	aromatic amide; furans		low
obacunone	limonoid		low
shihulimonin a	limonoid		low
gedunin	limonoid		low
toosendanin	limonoid		low
cedrelone	limonoid		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
chetomin	indoles; organic disulfide; organic heteropentacyclic compound	Chaetomium metabolite; immunosuppressive agent	low
amberlite cg 400	methyl ester; organic heteropentacyclic compound; yohimban alkaloid		low
fluocinolone acetonide	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug	low
gibberellic acid	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite	low
rotenone	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin	low
deserpidine	alkaloid ester; benzoate ester; methyl ester; organic heteropentacyclic compound; yohimban alkaloid		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
vincamine	alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid	antihypertensive agent; metabolite; vasodilator agent	low
fluorescein	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium	low
tabersonine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antineoplastic agent; metabolite	low
stanozolol	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen	low
canadine	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle		low
butaclamol	organic heteropentacyclic compound		low
butaclamol	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist	low
vindesine	methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent	low
cephalotaxine	benzazepine alkaloid fundamental parent; benzazepine alkaloid; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound		low
siccanin	organic heteropentacyclic compound	antifungal drug; fungal metabolite	low
tetrahydroalstonine	methyl ester; organic heteropentacyclic compound; yohimban alkaloid	plant metabolite	low
voacamine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; plant metabolite	low
gallein	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorochrome; G-protein-coupled receptor antagonist; histological dye	low
tylophorine	organic heteropentacyclic compound; organonitrogen heterocyclic compound		low
cryptopleurine	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	antineoplastic agent; antiviral agent; protein synthesis inhibitor	low
sporidesmin	aromatic ether; cyclic ketone; diketone; organic disulfide; organic heteropentacyclic compound; organochlorine compound; secondary alcohol; tertiary alcohol; tertiary amino compound	mycotoxin; Wnt signalling activator	low
fumitremorgin b	indole alkaloid; organic heteropentacyclic compound	mycotoxin	low
versicolorin c	cyclic acetal; organic heteropentacyclic compound; p-quinones; polyphenol	Aspergillus metabolite	low
deguelin	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite	low
tephrosin	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide	low
actinodaphine	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor	low
anonaine	aporphine alkaloid; organic heteropentacyclic compound; oxacycle	antineoplastic agent; antiplasmodial drug; trypanocidal drug	low
glyceollin	organic heteropentacyclic compound		low
diflomotecan	epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
homoharringtonine	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor	low
tryptoquivaline	aromatic ether; indole alkaloid; organic heteropentacyclic compound	breast cancer resistance protein inhibitor; mycotoxin	low
hippeastrine	delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol	antineoplastic agent; metabolite	low
glaucarubinone	carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol	antimalarial; antineoplastic agent; geroprotector; plant metabolite	low
raubasine	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent	low
picrotin	diol; epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	plant metabolite	low
picrotoxinin	epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	GABA antagonist; plant metabolite; serotonergic antagonist	low
eplerenone	3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester	aldosterone antagonist; antihypertensive agent	low
averufin	cyclic ketal; organic heteropentacyclic compound; polyketide; polyphenol	fungal metabolite	low
versicolorin a	cyclic acetal; organic heteropentacyclic compound; p-quinones; polyphenol	Aspergillus metabolite; carcinogenic agent	low
antofine	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite	low
noribogaine	monoterpenoid indole alkaloid; organic heteropentacyclic compound; secondary amino compound; tertiary amino compound	kappa-opioid receptor agonist; NMDA receptor antagonist; psychotropic drug; serotonin uptake inhibitor	low
rescinnamine	indole alkaloid; methyl ester; organic heteropentacyclic compound	antihypertensive agent	low
geissospermine	indole alkaloid; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound	EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
codeine	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic	low
hydrocodone	morphinane-like compound; organic heteropentacyclic compound	antitussive; mu-opioid receptor agonist; opioid analgesic	low
hydromorphone	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic	low
naloxone	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist	low
oxycodone	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic	low
morphine	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic	low
nalbuphine	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic	low
pholcodine	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; mu-opioid receptor agonist; opioid analgesic	low
oridonin	cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol	angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
thebaine	morphinane alkaloid; organic heteropentacyclic compound		low
naltrexone	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic	low
catharanthine	alkaloid ester; bridged compound; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound		low
oripavine	ether; morphinane alkaloid; organic heteropentacyclic compound; organic hydroxy compound; tertiary amino compound	bacterial xenobiotic metabolite; opioid analgesic	low
neopine	morphinane alkaloid; organic heteropentacyclic compound		low
resiniferatoxin	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist	low
coronardine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antileishmanial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
muromonab-cd3	alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite	low
akuammicine	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite	low
demethoxyfumitremorgin c	indole alkaloid; organic heteropentacyclic compound	mycotoxin	low
eckstolonol	organic heteropentacyclic compound; oxacycle; phlorotannin	metabolite; radical scavenger	low
homocamptothecin	epsilon-lactone; organic heteropentacyclic compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
triphosphate	aldehyde; indole alkaloid; organic heteropentacyclic compound	plant 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
interiotherin b	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite	low
vindolinine	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite	low
alexa fluor 546	organic heteropentacyclic compound	fluorochrome	low
jadomycin b	glycoside; jadomycin; organic heteropentacyclic compound	antibacterial agent; antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor; bacterial metabolite	low
picrinine	alkaloid ester; indole alkaloid; methyl ester; organic heteropentacyclic compound; polycyclic ether	analgesic; anti-asthmatic agent; anti-inflammatory agent; antitussive; plant 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
crambescidin 800	alkaloid; carboxylic ester; guanidines; monocarboxylic acid amide; organic heteropentacyclic compound; primary amino compound; secondary alcohol; spiro compound	anti-HIV-1 agent; anti-HSV-1 agent; antimalarial; marine metabolite	low
naloxegol	aromatic ether; organic heteropentacyclic compound; phenols; polyether; tertiary alcohol	cathartic; mu-opioid receptor antagonist	low
gs-5816	carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor	low
ebc-46	diester; diterpenoid; organic heteropentacyclic compound; phorbol ester	antineoplastic agent; plant metabolite; protein kinase C agonist	low
chrodrimanin b	organic heteropentacyclic compound		low
amlodipine	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent	low
arecoline	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist	low
bay-k-8644	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester		low
carpronium	methyl ester; quaternary ammonium ion		low
dimethyl 2,3,5,6-tetrachloroterephthalate	diester; methyl ester		low
felodipine	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent	low
isradipine	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester		low
methyl salicylate	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite	low
methylphenidate	beta-amino acid ester; methyl ester; piperidines		low
nicardipine	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound		low
nifedipine	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent	low
nilvadipine	dihydropyridine; isopropyl ester; methyl ester; nitrile		low
nisoldipine	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester		low
nitrendipine	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent	low
reserpine	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic	low
methylmethacrylate	enoate ester; methyl ester	allergen; polymerisation monomer	low
methyl n-methylanthranilate	benzoate ester; methyl ester; secondary amino compound; substituted aniline	animal metabolite; fungal metabolite; plant metabolite	low
methyl benzoate	benzoate ester; methyl ester	insect attractant; metabolite	low
methyl formate	formate ester; methyl ester; volatile organic compound	fumigant; insecticide; polar aprotic solvent; refrigerant	low
dimethyl 4-phthalate	diester; methyl ester; phthalate ester		low
dimethyl phthalate	diester; methyl ester; phthalate ester		low
methyl lactate	lactate ester; methyl ester	metabolite	low
methyl pyruvate	methyl ester; pyruvate ester		low
methyl hippurate	glycine derivative; methyl ester	metabolite	low
4-aminobutyric acid methyl ester	amino acid ester; methyl ester; primary amino compound		low
monomethyl phthalate	methyl ester; phthalic acid monoester		low
ng-nitroarginine methyl ester	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor	low
dichlorfop-methyl	aromatic ether; dichlorobenzene; diether; methyl ester		low
2-aminosulfonyl-benzoic acid methyl ester	benzoate ester; methyl ester; sulfonamide	marine xenobiotic metabolite	low
metalaxyl	alanine derivative; aromatic amide; carboxamide; ether; methyl ester		low
benalaxyl	alanine derivative; aromatic amide; carboxamide; methyl ester		low
methyl bensulfuron	aromatic ether; methyl ester; N-sulfonylurea; pyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide	low
esmolol	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound		low
clopidogrel	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor	low
carfentanil	methyl ester; piperidines; tertiary amino compound; tertiary carboxamide	mu-opioid receptor agonist; opioid analgesic; tranquilizing drug	low
leucine methyl ester	alpha-amino acid ester; L-leucine derivative; methyl ester		low
npk 1886	dihydropyridine; isopropyl ester; methyl ester		low
tyrosine methyl ester	L-tyrosyl ester; methyl ester		low
methyl 3-aminopyrazine-2-carboxylate	aromatic amine; methyl ester; pyrazines		low
tetracenomycin c	methyl ester; tertiary alpha-hydroxy ketone; tetracenomycin		low
thifensulfuron methyl	1,3,5-triazines; methyl ester; N-sulfonylurea; thiophenes	agrochemical; environmental contaminant; herbicide; xenobiotic	low
methyl 3-(4-hydroxyphenyl)propionate	methyl ester; phenols	nitrification inhibitor; plant growth regulator	low
methyl methoxyacetate	methyl ester		low
picloram-methyl	aminopyridine; chloropyridine; methyl ester	herbicide	low
cloransulam-methyl	methyl ester; monochlorobenzenes; organofluorine compound; sulfonamide; triazolopyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide	low
loganin	beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol	anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite	low
methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate	aromatic ether; benzoate ester; diamino-1,3,5-triazine; methyl ester; N-sulfonylurea	EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide	low
triflusulfuron-methyl	1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide	low
rhodomycinone	carbopolycyclic compound; methyl ester; polyphenol; tetracenequinones; tetracenomycin		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
indoxacarb	methyl ester; organochlorine insecticide	voltage-gated sodium channel blocker	low
kt 5823	gamma-lactam; hemiaminal; indolocarbazole; methyl ester; organic heterooctacyclic compound	EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor	low
lofentanil	methyl ester; piperidines; tertiary amino compound; tertiary carboxamide	mu-opioid receptor agonist; opioid analgesic	low
rubimaillin	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite	low
aspartame	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic	low
aclacinomycin	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite	low
metsulfuron methyl	methoxy-1,3,5-triazine; methyl ester; N-sulfonylurea	herbicide	low
aklavinone	anthracycline; methyl ester; tertiary alcohol; tetracenequinones	antineoplastic agent	low
guvacoline	alpha,beta-unsaturated carboxylic ester; beta-amino acid ester; enoate ester; methyl ester; pyridine alkaloid; secondary amino compound; tetrahydropyridine	muscarinic agonist; plant metabolite	low
secologanin	aldehyde; beta-D-glucoside; enoate ester; methyl ester; pyrans; secoiridoid glycoside	plant metabolite	low
strictosidine	alkaloid ester; beta-D-glucoside; indole alkaloid; methyl ester		low
secoxyloganin	beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside	anti-allergic agent; antioxidant; plant metabolite	low
bisdechlorogeodin	1-benzofurans; cyclohexadiene; methyl ester; oxaspiro compound	antimicrobial agent	low
aricine	methyl ester; yohimban alkaloid		low
methyl 3,4-dihydroxybenzoate	catechols; methyl ester	antioxidant; neuroprotective agent; plant metabolite	low
aglafoline	methyl ester; organic heterotricyclic compound	metabolite; platelet aggregation inhibitor	low
cocaine	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic	low
aclarubicin	aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion	antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
dimethyloxalylglycine	glycine derivative; methyl ester; secondary carboxamide	EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor; neuroprotective agent	low
methyl indole-3-carboxylate	indoles; methyl ester	metabolite	low
dimethyl fumarate	diester; enoate ester; methyl ester	antipsoriatic; immunomodulator	low
3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid methyl ester	methyl ester; pyrimidinethione; pyrimidone		low
methyl caffeate	alkyl caffeate ester; methyl ester		low
tosylarginine methyl ester	guanidines; L-arginine ester; methyl ester; sulfonamide		low
alpha-acetyllysine methyl ester	acetamides; alpha-amino acid ester; L-lysine derivative; methyl ester; primary amino compound		low
azoxystrobin	aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic	low
sf 2370	bridged compound; gamma-lactam; methyl ester; organic heterooctacyclic compound	antimicrobial agent; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; tropomyosin-related kinase B receptor antagonist	low
5-methoxycarbonylmethyluridine	methyl ester; uridines		low
dimethyl maleate	diester; maleate ester; methyl ester		low
oleuropein	beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside	anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger	low
l796778	benzenes; C-nitro compound; L-lysine derivative; L-phenylalanine derivative; methyl ester; oligopeptide; secondary carboxamide; ureas	somatostatin receptor agonist	low
l803087	benzenes; fluoroindole; guanidines; L-arginine derivative; methyl ester; phenylindole; secondary carboxamide	somatostatin receptor agonist	low
methyl 2,5-dihydroxycinnamate	cinnamate ester; hydroquinones; methyl ester	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; geroprotector; human urinary metabolite; plant metabolite	low
methyl ferulate	cinnamate ester; guaiacols; methyl ester	plant metabolite	low
monomethyl fumarate	dicarboxylic acid monoester; enoate ester; methyl ester	antioxidant; drug metabolite; immunomodulator	low
thermorubin	dicarboxylic acid monoester; methyl ester; naphthoisochromene		low
cystothiazole a	1,3-thiazoles; biaryl; enoate ester; enol ether; methyl ester; organonitrogen heterocyclic antibiotic	antifungal agent; antineoplastic agent; bacterial metabolite	low
methoxysuccinyl-alanyl-alanyl-prolyl-valine chloromethyl ketone	alpha-chloroketone; methyl ester; tripeptide	EC 3.4.21.37 (leukocyte elastase) inhibitor	low
kresoxim-methyl	aromatic ether; methoxyiminoacetate strobilurin antifungal agent; methyl ester; oxime O-ether	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic	low
bryostatin 2	bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	antineoplastic agent; marine metabolite; protein kinase C agonist	low
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid	enoate ester; methyl ester; monocarboxylic acid amide	metabolite	low
varespladib methyl	aromatic ether; benzenes; indoles; methyl ester; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug	low
estin	1-benzofurans; ether; methyl ester; organochlorine compound; oxaspiro compound; phenols	Aspergillus metabolite; Penicillium metabolite	low
nidulalin a	methyl ester; phenols; xanthones	antimicrobial agent; antineoplastic agent; Penicillium metabolite	low
fluacrypyrim	enoate ester; enol ether; methyl ester; organofluorine acaricide; pyrimidines	mitochondrial cytochrome-bc1 complex inhibitor	low
elloramycin	alpha-L-rhamnoside; carboxylic ester; enol ether; enone; methyl ester; monosaccharide derivative; phenols; tertiary alpha-hydroxy ketone; tetracenomycin	antimicrobial agent; bacterial metabolite	low
quinine	Aspidosperma alkaloid; epoxide; methyl ester; monoterpenoid indole alkaloid; organic heterohexacyclic compound	plant metabolite	low
episilvestrol	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite	low
trifloxystrobin	methoxyiminoacetate strobilurin antifungal agent; methyl ester; organofluorine compound; oxime O-ether	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor	low
silvestrol	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite	low
bacteriochlorophylls	bacteriochlorophyll; methyl ester		low
methylamphotericin b	macrolide; methyl ester; monosaccharide derivative	antifungal agent; antiinfective agent; metabolite	low
wyosine	carbamate ester; methyl ester; nucleoside analogue		low
ligstroside	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite	low
kt 5926	gamma-lactam; hemiaminal; indolocarbazole; methyl ester; organic heterooctacyclic compound; tertiary alcohol	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor	low
chlorophyll a	chlorophyll; methyl ester	cofactor	low
berkeleydione	beta-diketone; cyclic terpene ketone; meroterpenoid; methyl ester; organic heterotetracyclic compound; terpene lactone; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; cysteine protease inhibitor; Penicillium metabolite	low
berkeleytrione	beta-diketone; carbopolycyclic compound; cyclic terpene ketone; meroterpenoid; methyl ester; tertiary alcohol; tertiary alpha-hydroxy ketone	cysteine protease inhibitor; Penicillium metabolite	low
gardenoside	beta-D-glucoside; cyclopentapyran; enoate ester; methyl ester; monosaccharide derivative; tertiary alcohol	metabolite	low
oleuropein aglycone	catechols; diester; lactol; methyl ester; pyrans; secoiridoid	anti-inflammatory agent; antioxidant; mTOR inhibitor; neuroprotective agent; plant metabolite; TRPA1 channel agonist	low
stemmadenine	Aspidosperma alkaloid; methyl ester; monoterpenoid indole alkaloid; organic heterotetracyclic compound; primary alcohol	plant metabolite	low
MS-417	methyl ester; monochlorobenzenes; thienotriazolodiazepine		low
leukotriene c4 monomethyl ester	leukotriene; methyl ester		low

Substance	Classes	Roles	Relationship Strength
6-deacetylnimbin	cyclic terpene ketone; diester; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	antifeedant; insect growth regulator; plant metabolite	low
allyl cyanide	aliphatic nitrile; olefinic compound	antifeedant; neurotoxin; plant metabolite	low
pelargonic acid	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite	low
decamethrin	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide	low
primin	1,4-benzoquinones	allergen; antifeedant; antimicrobial agent; hapten; metabolite	low
thiamethoxam	1,3-thiazoles; 2-nitroguanidine derivative; organochlorine compound; oxadiazane	antifeedant; carcinogenic agent; environmental contaminant; neonicotinoid insectide; xenobiotic	low
albicanol	carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid	antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite	low
3-octanone	dialkyl ketone	antifeedant; biomarker; fungal metabolite; human urinary metabolite; insect attractant; plant metabolite; toxin	low
germacrone	germacrane sesquiterpenoid; olefinic compound	androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component	low
yunaconitine	acetate ester; aromatic ether; benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound	antifeedant; human urinary metabolite; phytotoxin; plant metabolite; xenobiotic	low
pymetrozine	1,2,4-triazines; pyridines	antifeedant; environmental contaminant; TRPV channel modulator; xenobiotic	low
viridiflorol	carbotricyclic compound; sesquiterpenoid; tertiary alcohol	anti-inflammatory agent; antifeedant; antimycobacterial drug; plant metabolite; volatile oil component	low
2,3-dihydroxybenzoic acid	dihydroxybenzoic acid	human xenobiotic metabolite; plant metabolite	low
tartronic acid	dicarboxylic acid; dicarboxylic fatty acid	plant metabolite	low
protocatechuic acid	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite	low
3-phenylpropionic acid	benzenes; monocarboxylic acid	antifungal agent; human metabolite; plant metabolite	low
4-hydroxybenzyl alcohol	benzyl alcohols; phenols	plant metabolite	low
4-hydroxybenzaldehyde	hydroxybenzaldehyde	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite	low
4-hydroxyphenylacetic acid	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite	low
4-hydroxybenzoic acid	monohydroxybenzoic acid	algal metabolite; plant metabolite	low
aminolevulinic acid	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite	low
allantoic acid	ureas	mouse metabolite; plant metabolite	low
benzaldehyde	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite	low
benzoic acid	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite	low
betaine aldehyde	quaternary ammonium ion	Aspergillus metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite	low
cadaverine	alkane-alpha,omega-diamine	Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite	low
catechol	catechols	allelochemical; genotoxin; plant metabolite	low
choline	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite	low
coumarin	coumarins	fluorescent dye; human metabolite; plant metabolite	low
cuminol	benzyl alcohols; p-menthane monoterpenoid	fragrance; insect repellent; plant metabolite; volatile oil component; xenobiotic metabolite	low
cuminaldehyde	benzaldehydes	insecticide; plant metabolite; volatile oil component	low
4-vinylguaiacol	phenols	flavouring agent; pheromone; plant metabolite	low
salicylic acid	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite	low
4-methylumbelliferyl acetate	acetate ester; coumarins	plant metabolite	low
gallic acid	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite	low
indoleacetamide	indoles; monocarboxylic acid amide; N-acylammonia	bacterial metabolite; fungal metabolite; plant metabolite	low
caprylic aldehyde	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	plant metabolite	low
n(1)-methylnicotinamide	pyridinium ion	algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
guaiacol	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite	low
1-aminocyclopropane-1-carboxylic acid	amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid	ethylene releasers; plant metabolite	low
3,4-dihydrocoumarin	chromanone	plant metabolite	low
homogentisic acid	dihydroxyphenylacetic acid; hydroquinones	human metabolite; plant metabolite	low
indoleacetic acid	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite	low
indol-3-yl pyruvic acid	2-oxo monocarboxylic acid; indol-3-yl carboxylic acid	plant metabolite; Saccharomyces cerevisiae metabolite	low
melilotic acid	monocarboxylic acid; phenols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite; human xenobiotic metabolite; plant metabolite	low
racemethionine	alpha-amino acid; amino acid zwitterion; sulfur-containing amino acid	algal metabolite; Daphnia magna metabolite; Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
n-methylphenylethanolamine	alkaloid; phenylethanolamines	human metabolite; plant metabolite	low
naphthalene	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component	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
1-octanol	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite	low
oxalic acid	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite	low
4-aminobenzoic acid	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite	low
palmitic acid	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite	low
phenylacetic acid	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin	low
prephenic acid	oxo dicarboxylic acid	Escherichia coli metabolite; plant metabolite	low
pyridoxamine	aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite	low
pyrogallol	benzenetriol; phenolic donor	plant metabolite	low
tryptamine	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite	low
vanillin	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite	low
aminopropionitrile	aminopropionitrile	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite	low
meglutol	3-hydroxy carboxylic acid; dicarboxylic acid; tertiary alcohol	anticholesteremic drug; antimetabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; human metabolite; plant metabolite	low
methylbufotenin	aromatic ether; tertiary amino compound; tryptamine alkaloid	hallucinogen; plant metabolite	low
7,8-dihydroxyflavone	dihydroxyflavone	antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist	low
anabasine	piperidine alkaloid; pyridine alkaloid	nicotinic acetylcholine receptor agonist; plant metabolite; teratogenic agent	low
acetovanillone	acetophenones; aromatic ketone; methyl ketone	antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite	low
azelaic acid	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite	low
benzyl benzoate	benzoate ester; benzyl ester	acaricide; plant metabolite; scabicide	low
5-methoxypsoralen	5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens	hepatoprotective agent; plant metabolite	low
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one	aromatic ether; benzoxazine; cyclic hydroxamic acid; lactol	allelochemical; plant metabolite	low
caffeic acid	catechols; hydroxycinnamic acid	antioxidant; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite	low
caffeine	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic	low
beta-glycerophosphoric acid	glycerol monophosphate	Escherichia coli metabolite; plant metabolite	low
camphor, (+-)-isomer	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite	low
cetyl alcohol	hexadecanol; long-chain primary fatty alcohol	algal metabolite; flavouring agent; human metabolite; plant metabolite	low
chrysanthemic acid	cyclopropanes; monocarboxylic acid	plant metabolite	low
colchicine, (+-)-isomer	acetamides; alkaloid; aromatic ether; carbotricyclic compound	microtubule-destabilising agent; plant metabolite	low
danthron	dihydroxyanthraquinone	apoptosis inducer; plant metabolite	low
decanoic acid	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component	low
benzophenone	benzophenones	photosensitizing agent; plant metabolite	low
ellipticine	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite	low
embelin	dihydroxy-1,4-benzoquinones	antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite	low
emodin	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor	low
guvacine	alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine	GABA reuptake inhibitor; plant metabolite	low
beta-thujaplicin	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite	low
indole-3-carbinol	indolyl alcohol	antineoplastic agent; plant metabolite	low
indolepropionic acid	indol-3-yl carboxylic acid	auxin; human metabolite; plant metabolite	low
beta-lapachone	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite	low
lauric acid	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite	low
methoxsalen	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite	low
masoprocol	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite	low
phloretin	dihydrochalcones	antineoplastic agent; plant metabolite	low
4-aminobenzoic acid	aminobenzoate; aromatic amino-acid anion	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
protopine	dibenzazecine alkaloid	plant metabolite	low
safrole	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite	low
sebacic acid	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite; plant metabolite	low
stearic acid	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite	low
sulforaphane	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite	low
theobromine	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent	low
triacetin	triglyceride	adjuvant; antifungal drug; food additive carrier; food emulsifier; food humectant; fuel additive; plant metabolite; solvent	low
trigonelline	alkaloid; iminium betaine	food component; human urinary metabolite; plant metabolite	low
undecylenic acid	undecenoic acid	antifungal drug; plant metabolite	low
reserpine	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic	low
hydroxyproline	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite	low
dipropylenetriame	polyazaalkane	algal metabolite; plant metabolite	low
lysine	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite	low
vincristine	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	low
levodopa	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug	low
phenylethyl alcohol	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite	low
phlorhizin	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	antioxidant; plant metabolite	low
leucine	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
phenylalanine	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite	low
ficusin	psoralens	plant metabolite	low
asparagine	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite	low
n-pentanol	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite	low
threonine	amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite	low
alizarin	dihydroxyanthraquinone	chromophore; dye; plant metabolite	low
tryptophan	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite	low
isoleucine	aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
ethane	alkane; gas molecular entity	plant metabolite; refrigerant	low
gibberellic acid	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite	low
isophorone	cyclic ketone; enone	plant metabolite; solvent	low
linalool	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component	low
isoprene	alkadiene; hemiterpene; volatile organic compound	plant metabolite	low
isobutylamine	alkylamines	plant metabolite	low
isobutyric acid	branched-chain saturated fatty acid; fatty acid 4:0; methyl-branched fatty acid	Daphnia magna metabolite; plant metabolite; volatile oil component	low
camphene	carbobicyclic compound; monoterpene	fragrance; plant metabolite	low
alpha-pinene	pinene	plant metabolite	low
purpurin	trihydroxyanthraquinone	biological pigment; histological dye; plant metabolite	low
visnagin	aromatic ether; furanochromone; polyketide	anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent	low
2,6-dihydroxyanthraquinone	dihydroxyanthraquinone	antimutagen; plant metabolite	low
methyl n-methylanthranilate	benzoate ester; methyl ester; secondary amino compound; substituted aniline	animal metabolite; fungal metabolite; plant metabolite	low
gramine	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist	low
2-furoic acid	furoic acid	bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite	low
piperitone	cyclic terpene ketone; p-menthane monoterpenoid	plant metabolite; volatile oil component	low
resacetophenone	dihydroxyacetophenone; resorcinols	plant metabolite	low
salicylaldehyde	hydroxybenzaldehyde	nematicide; plant metabolite	low
1-methylnaphthalene	methylnaphthalene	carcinogenic agent; plant metabolite	low
pseudoephedrine	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic	low
pyrogallol 1,3-dimethyl ether	dimethoxybenzene; phenols	plant metabolite	low
veratrole	dimethoxybenzene	plant metabolite	low
isatin	indoledione	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite	low
phenothiazine	phenothiazine	ferroptosis inhibitor; plant metabolite; radical scavenger	low
veratric acid	benzoic acids	allergen; plant metabolite	low
synephrine	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite	low
piperonylic acid	aromatic carboxylic acid; benzodioxoles; monocarboxylic acid	antifungal agent; EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor; plant metabolite; vulnerary	low
benzothiazole	benzothiazoles	environmental contaminant; plant metabolite; xenobiotic	low
2-methylbutanal	2-methyl-branched fatty aldehyde; methylbutanal	plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component	low
methylcyclopentane	cycloalkane; volatile organic compound	human metabolite; plant metabolite	low
phosphoribosyl pyrophosphate	5-O-phosphono-D-ribofuranosyl diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite	low
2-methylvaleric acid	branched-chain saturated fatty acid; methyl-branched fatty acid; monocarboxylic acid; short-chain fatty acid	flavouring agent; fragrance; plant metabolite	low
ethyl 2-methylpropanoate	fatty acid ethyl ester	plant metabolite	low
3-hydroxybenzoic acid	monohydroxybenzoic acid	bacterial metabolite; plant metabolite	low
methyl gallate	gallate ester	anti-inflammatory agent; antioxidant; plant metabolite	low
carveol	limonene monoterpenoid	plant metabolite; volatile oil component	low
methylparaben	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite	low
alpha phellandrene	cyclohexadiene; phellandrene	antimicrobial agent; plant metabolite; volatile oil component	low
gamma-terpinene	cyclohexadiene; monoterpene	antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component	low
alpha-terpinene	cyclohexadiene; monoterpene	plant metabolite; volatile oil component	low
4-cymene	monoterpene; toluenes	human urinary metabolite; plant metabolite; volatile oil component	low
4-hydroxyacetophenone	monohydroxyacetophenone	fungal metabolite; mouse metabolite; plant metabolite	low
4-anisic acid	methoxybenzoic acid	plant metabolite	low
styrene	styrenes; vinylarene; volatile organic compound	mouse metabolite; mutagen; plant metabolite	low
benzylamine	aralkylamine; primary amine	allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite	low
anisole	monomethoxybenzene	plant metabolite	low
phenyl ether	aromatic ether	plant metabolite	low
1,3-diphenylurea	phenylureas	cytokinin; plant metabolite	low
3-phenylpropanal	aldehyde; benzenes	flavouring agent; plant metabolite	low
2-ethylhexanol	primary alcohol	plant metabolite; volatile oil component	low
4-methylbenzaldehyde	tolualdehyde	plant metabolite	low
ethyl butyrate	butyrate ester	plant metabolite	low
12-hydroxy stearic acid	hydroxyoctadecanoic acid; secondary alcohol	bacterial xenobiotic metabolite; plant metabolite	low
methyl caproate	fatty acid methyl ester; hexanoate ester	flavouring agent; plant metabolite	low
propanethiol	alkanethiol	plant metabolite	low
allyl alcohol	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite	low
isoamylamine	primary aliphatic amine	bacterial metabolite; plant metabolite	low
2-pentanone	methyl ketone; pentanone	plant metabolite	low
methylcyclohexane	cycloalkane; volatile organic compound	aprotic solvent; human metabolite; plant metabolite	low
n-pentanoic acid	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite	low
propyl acetate	acetate ester	fragrance; plant metabolite	low
ethyl formate	ethyl ester; formate ester	fumigant; plant metabolite	low
pentanal	saturated fatty aldehyde	plant metabolite	low
piperidine	azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine	base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent	low
heptanoic acid	medium-chain fatty acid; straight-chain saturated fatty acid	plant metabolite	low
1-hexanol	hexanol; primary alcohol	alarm pheromone; antibacterial agent; fragrance; plant metabolite	low
ethyl stearate	long-chain fatty acid ethyl ester; octadecanoate ester	plant metabolite	low
heptanol	heptanol; primary alcohol	flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite	low
nonane	alkane	plant metabolite; volatile oil component	low
undecan-2-one	dialkyl ketone; methyl ketone	plant metabolite; rodenticide	low
octyl acetate	acetate ester	plant metabolite	low
decanaldehyde	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	antifungal agent; fragrance; plant metabolite	low
n-dodecane	alkane	plant metabolite	low
undecan-1-ol	primary alcohol; undecanol	flavouring agent; plant metabolite	low
undecanal	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	antimycobacterial drug; plant metabolite; volatile oil component	low
dodecanol	dodecanol; primary alcohol	bacterial metabolite; cosmetic; insect attractant; insecticide; pheromone; plant metabolite	low
1-tridecanol	long-chain primary fatty alcohol; tridecanol	bacterial metabolite; human metabolite; plant metabolite	low
myristyl alcohol	long-chain primary fatty alcohol; tetradecanol	pheromone; plant metabolite; volatile oil component	low
behenic acid	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite	low
stearyl alcohol	long-chain primary fatty alcohol; octadecanol	algal metabolite; human metabolite; plant metabolite	low
eicosane	long-chain alkane	plant metabolite	low
3-hydroxy-3-methylbutene	olefinic compound; tertiary alcohol	animal metabolite; fragrance; pheromone; plant metabolite	low
3,4,5-trimethoxybenzoic acid	benzoic acids; methoxybenzenes	human urinary metabolite; human xenobiotic metabolite; plant metabolite	low
2-chlorobenzoic acid	2-halobenzoic acid; monochlorobenzoic acid	plant hormone; plant metabolite	low
scoparone	aromatic ether; coumarins	anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite	low
dimethoxyphenylethylamine	alkaloid; aromatic ether; phenylethylamine	allergen; plant metabolite	low
ethyl-p-hydroxybenzoate	ethyl ester; paraben	antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite	low
piperonal	arenecarbaldehyde; benzodioxoles	fragrance; insect repellent; plant metabolite	low
vanillic acid	methoxybenzoic acid; monohydroxybenzoic acid	plant metabolite	low
peucedanin	aromatic ether; furanocoumarin; lactone	plant metabolite	low
indolebutyric acid	indol-3-yl carboxylic acid	auxin; plant hormone; plant metabolite	low
syringaldehyde	dimethoxybenzene; hydroxybenzaldehyde	hypoglycemic agent; plant metabolite	low
2-aminothiophenol	aryl thiol; substituted aniline	plant metabolite	low
shikimic acid	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
estragole	alkenylbenzene; monomethoxybenzene; phenylpropanoid	carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite	low
citronellol	monoterpenoid	plant metabolite	low
ethyl acetoacetate	ethyl ester	antibacterial agent; flavouring agent; plant metabolite	low
2-hydroxypyridine	monohydroxypyridine	plant metabolite	low
hexanoic acid	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite	low
n-heptane	alkane; volatile organic compound	non-polar solvent; plant metabolite	low
1-nonanol	nonanol; primary alcohol	antifungal agent; flavouring agent; plant metabolite; volatile oil component	low
2-vanillin	benzaldehydes; guaiacols	antimutagen; plant metabolite	low
citronellyl acetate	acetate ester; monoterpenoid	plant metabolite	low
catechin	catechin	antioxidant; plant metabolite	low
chrysene	ortho-fused polycyclic arene	plant metabolite	low
azulene	azulenes; mancude carbobicyclic parent; ortho-fused bicyclic arene	plant metabolite; volatile oil component	low
ephedrine	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic	low
pseudoephedrine hydrochloride	hydrochloride	plant metabolite	low
galantamine	benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound	antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite	low
citrulline	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite	low
4-methylcatechol	methylcatechol	antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite	low
beta-erythroidine	delta-lactone; indole alkaloid; organic heterotetracyclic compound; tertiary amino compound	muscle relaxant; plant metabolite	low
glycyrrhetinic acid	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite	low
pinane	carbobicyclic compound; monoterpene; terpenoid fundamental parent	plant metabolite	low
naphthazarin	hydroxy-1,4-naphthoquinone	acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite	low
aloe emodin	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite	low
chrysophanic acid	dihydroxyanthraquinone	anti-inflammatory agent; antiviral agent; plant metabolite	low
emetine	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor	low
reticulin	benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol	plant metabolite	low
cytisine	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite	low
indole-3-carbaldehyde	heteroarenecarbaldehyde; indole alkaloid; indoles	bacterial metabolite; human xenobiotic metabolite; marine metabolite; plant metabolite	low
thymoquinone	1,4-benzoquinones	adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite	low
phenylpropanolamine	amphetamines; phenethylamine alkaloid	plant metabolite	low
4-hydroxyphenylethanol	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent	low
phloretic acid	hydroxy monocarboxylic acid	plant metabolite	low
citronellic acid	medium-chain fatty acid; monoterpenoid; monounsaturated fatty acid	flavouring agent; plant metabolite	low
isovaleric acid	branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid	mammalian metabolite; plant metabolite	low
iberin	isothiocyanate; sulfoxide	apoptosis inducer; plant metabolite; quorum sensing inhibitor	low
16-hydroxypalmitic acid	hydroxypalmitic acid; omega-hydroxy-long-chain fatty acid	plant metabolite	low
arachidic acid	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite	low
octacosanoic acid	straight-chain saturated fatty acid; ultra-long-chain fatty acid	plant metabolite	low
oleanolic acid	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite	low
ascaridole	organic heterobicyclic compound; organic peroxide; p-menthane monoterpenoid	antileishmanial agent; antinematodal drug; plant metabolite	low
abietic acid	abietane diterpenoid; monocarboxylic acid	plant metabolite	low
hematoxylin	organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol	histological dye; plant metabolite	low
podophyllotoxin	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	low
pyridoxamine dihydrochloride	hydrochloride; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite	low
tryptophol	indolyl alcohol	auxin; plant metabolite; Saccharomyces cerevisiae metabolite	low
hemimellitene	trimethylbenzene	neurotoxin; plant metabolite	low
2-methylbenzaldehyde	tolualdehyde	plant metabolite	low
syringic acid	benzoic acids; dimethoxybenzene; phenols	plant metabolite	low
6-methoxybenzoxazolinone	aromatic ether; benzoxazole	antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite	low
1,1-dimethoxyethane	acetal; diether	flavouring agent; plant metabolite	low
2-methylfuran	furans; volatile organic compound	flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite	low
perillyl alcohol	limonene monoterpenoid	plant metabolite; volatile oil component	low
cumic acid	cumic acid	plant metabolite	low
tricaprylin	octanoate ester; triglyceride	anticonvulsant; plant metabolite	low
senecioic acid	alpha,beta-unsaturated monocarboxylic acid; methyl-branched fatty acid; monounsaturated fatty acid; short-chain fatty acid	plant metabolite	low
3-hexen-1-ol	alkenyl alcohol; homoallylic alcohol; primary alcohol; volatile organic compound	plant metabolite	low
n-hexadecane	long-chain alkane	non-polar solvent; plant metabolite; volatile oil component	low
beta-phellandrene	phellandrene	plant metabolite	low
tristearin	triacylglycerol 54:0	Caenorhabditis elegans metabolite; plant metabolite	low
lignoceric acid	straight-chain saturated fatty acid; very long-chain fatty acid	Daphnia tenebrosa metabolite; human metabolite; plant metabolite; volatile oil component	low
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component	low
6-methylsalicylic acid	monohydroxybenzoic acid	Penicillium metabolite; plant metabolite	low
1-phenyl-1,2-propanedione	alpha-diketone; aromatic ketone	plant metabolite	low
2-methylcyclohexanone	cyclohexanones	flavouring agent; plant metabolite	low
terpinolene	p-menthadiene	insect repellent; plant metabolite; sedative; volatile oil component	low
isovalerylaldehyde	methylbutanal	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component	low
levulinic acid	oxopentanoic acid; straight-chain saturated fatty acid	plant metabolite	low
2-tridecanone	methyl ketone	flavouring agent; plant metabolite	low
octadecane	long-chain alkane	bacterial metabolite; plant metabolite	low
dimethylselenide	organoselenium compound	bacterial xenobiotic metabolite; plant metabolite	low
chorismic acid	5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
2-methyl-5-(1-methylethenyl)cyclohexanol	p-menthane monoterpenoid; secondary alcohol	acaricide; plant metabolite; volatile oil component	low
4-carboxybenzaladehyde	benzaldehydes; benzoic acids; monocarboxylic acid	plant metabolite	low
3-methylbenzaldehyde	tolualdehyde	plant metabolite	low
isovanillin	benzaldehydes; monomethoxybenzene; phenols	animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite	low
2,5-dimethylfuran	furans	antifungal agent; bacterial metabolite; fuel; fumigant; human urinary metabolite; Maillard reaction product; plant metabolite	low
2-hexanol	hexanol; secondary alcohol	human metabolite; plant metabolite; semiochemical	low
ethyl palmitate	hexadecanoate ester; long-chain fatty acid ethyl ester	plant metabolite	low
2-nonanol	nonanol; secondary alcohol	bacterial metabolite; flavouring agent; pheromone; plant metabolite; rat metabolite; volatile oil component	low
n-propyl disulfide	organic disulfide	plant metabolite	low
tridecane	long-chain alkane	plant metabolite; volatile oil component	low
n-tetradecane	long-chain alkane	plant metabolite; volatile oil component	low
pentadecane	long-chain alkane	animal metabolite; plant metabolite; volatile oil component	low
heptadecane	long-chain alkane	plant metabolite; volatile oil component	low
nonadecane	long-chain alkane	plant metabolite; volatile oil component	low
n-heneicosane	long-chain alkane	pheromone; plant metabolite; volatile oil component	low
docosane	long-chain alkane	plant metabolite	low
octacosane	long-chain alkane	plant metabolite	low
nonacosane	long-chain alkane	plant metabolite; volatile oil component	low
bulbocapnine	aporphine alkaloid; aromatic ether; oxacycle; phenols	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; EC 1.4.3.22 (diamine oxidase) inhibitor; plant metabolite	low
1,2,3-trimethoxybenzene	methoxybenzenes	plant metabolite	low
2-pyrrolecarboxylic acid	pyrrolecarboxylic acid	plant metabolite	low
tridecanoic acid	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite	low
n-tricosane	long-chain alkane	plant metabolite; volatile oil component	low
2-propylphenol	phenols	flavouring agent; plant metabolite	low
isovanillic acid	methoxybenzoic acid; monohydroxybenzoic acid	antibacterial agent; plant metabolite	low
tetracosane	long-chain alkane	plant metabolite; volatile oil component	low
docosanol	docosanol; long-chain primary fatty alcohol	antiviral drug; plant metabolite	low
2-methylpyrrolidine	pyrrolidines	plant metabolite	low
2-nonanone	methyl ketone	plant metabolite	low
ethyl gallate	gallate ester	plant metabolite	low
3-methylfuran	furans; volatile organic compound	Aspergillus metabolite; environmental contaminant; fungal metabolite; Penicillium metabolite; plant metabolite	low
pentadecanoic acid	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; food component; human blood serum metabolite; plant metabolite	low
dihydroferulic acid	guaiacols; monocarboxylic acid; phenylpropanoid	antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite	low
fenchone, (+-)-isomer	carbobicyclic compound; cyclic terpene ketone; fenchane monoterpenoid	plant metabolite	low
beta-pinene	pinene	plant metabolite	low
glycyrrhizic acid	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; plant metabolite	low
d-alpha tocopherol	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite	low
selenomethionine	selenoamino acid; selenomethionines	plant metabolite	low
1-pentene-3-one	enone	flavouring agent; genotoxin; human metabolite; plant metabolite	low
dodecyldimethylamine oxide	tertiary amine oxide	detergent; plant metabolite	low
2-undecanol	secondary alcohol; undecanol	animal metabolite; flavouring agent; pheromone; plant metabolite; volatile oil component	low
digoxigenin	12beta-hydroxy steroid; 14beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-sterol	hapten; plant metabolite	low
heliamine	aromatic ether; diether; isoquinoline alkaloid; isoquinolines	plant metabolite	low
6h-dibenzo-(b,d)-pyran-6-one	benzochromenone	plant metabolite	low
diallyl disulfide	organic disulfide	antifungal agent; antineoplastic agent; plant metabolite	low
glaucine	aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound	antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite	low
dihydroconiferyl alcohol	eugenol; primary alcohol	plant metabolite	low
propyl benzoate	benzoate ester	antimicrobial food preservative; flavouring agent; plant metabolite	low
2-methoxy-1,4-naphthoquinone	1,4-naphthoquinones; enol ether	antimicrobial agent; metabolite; plant metabolite	low
tricosanoic acid	straight-chain saturated fatty acid; very long-chain fatty acid	Daphnia magna metabolite; human metabolite; plant metabolite	low
alpha-terpineol	terpineol	plant metabolite	low
acetosyringone	acetophenones; dimethoxybenzene; phenols	anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite	low
pentadecanal	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	antimicrobial agent; plant metabolite; volatile oil component	low
2-ethylfuran	furans; volatile organic compound	bacterial metabolite; fragrance; Maillard reaction product; plant metabolite	low
sabinene	thujene	plant metabolite	low
palmatine	berberine alkaloid; organic heterotetracyclic compound	plant metabolite	low
n-butylbenzenesulfonamide	sulfonamide	neurotoxin; plant metabolite	low
furaneol	cyclic ketone; enol; furans	flavouring agent; fragrance; plant metabolite	low
methyl vanillate	aromatic ether; benzoate ester; phenols	antioxidant; plant metabolite	low
2-octanol	octanol; secondary alcohol	plant metabolite; volatile oil component	low
5-methoxyindole-2-carboxylic acid	aromatic ether; indolecarboxylic acid	EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor; hypoglycemic agent; plant metabolite	low
canadine, (s)-isomer	an (S)-7,8,13,14-tetrahydroprotoberberine; canadine	plant metabolite	low
14-methylhexadecanoic acid	branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid	mammalian metabolite; plant metabolite	low
helenalin	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite	low
dimethyldiselenide	organoselenium compound	bacterial metabolite; human xenobiotic metabolite; mammalian metabolite; plant metabolite	low
camptothecin	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite	low
isopentenyladenosine	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite	low
s-methylcysteine	S-alkyl-L-cysteine zwitterion; S-alkyl-L-cysteine	human urinary metabolite; plant metabolite	low
dihydrocarvone	dihydrocarvones	plant metabolite	low
marmesin, (r)-isomer	marmesin	plant metabolite; rat metabolite; xenobiotic metabolite	low
4-hydroxybenzylcyanide	hydroxynitrile	plant metabolite	low
2,3,5-trimethylpyrazine	pyrazines	animal metabolite; bacterial metabolite; flavouring agent; pheromone; plant metabolite	low
tetradecanoylphorbol acetate	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator	low
2,4-dihydroxy-1,4-benzoxazin-3-one	benzoxazine; cyclic hydroxamic acid; lactol	allelochemical; herbicide; phytotoxin; plant metabolite	low
precocene i	aromatic ether; chromenes	plant metabolite; precocenes	low
1-deoxynojirimycin	2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid	anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite	low
neohesperidin dihydrochalcone	dihydrochalcones; disaccharide derivative; neohesperidoside	environmental contaminant; plant metabolite; sweetening agent; xenobiotic	low
zingerone	methyl ketone; monomethoxybenzene; phenols	anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent	low
4-anisaldehyde	benzaldehydes	bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite	low
myrcene	monoterpene	anabolic agent; anti-inflammatory agent; flavouring agent; fragrance; plant metabolite; volatile oil component	low
diacetone alcohol	beta-hydroxy ketone	plant metabolite	low
methyl tetradecanoate	fatty acid methyl ester	flavouring agent; fragrance; plant metabolite	low
nonanal	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	human metabolite; plant metabolite	low
tetradecanal	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	bacterial metabolite; plant metabolite	low
silybin	aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite	low
oxypeucadanin, (s)-(-)-isomer	epoxide; furanocoumarin; lactone	plant metabolite	low
amygdalin	cyanogenic glycoside; disaccharide derivative; gentiobioside	plant metabolite	low
colforsin	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist	low
swainsonine	indolizidine alkaloid	antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite	low
octyl gallate	gallate ester	food antioxidant; hypoglycemic agent; plant metabolite	low
vanillyl alcohol	benzyl alcohols; guaiacols	plant metabolite	low
benzylaminopurine	6-aminopurines	cytokinin; plant metabolite	low
allyl methyl disulfide	organic disulfide	plant metabolite; volatile oil component	low
octyl glucoside	beta-D-glucoside	plant metabolite	low
dihydrochalcone	dihydrochalcones	plant metabolite	low
ursolic acid	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite	low
betulinic acid	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite	low
calanolide a	cyclic ether; delta-lactone; organic heterotetracyclic compound; secondary alcohol	HIV-1 reverse transcriptase inhibitor; plant metabolite	low
baicalin	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug	low
epigallocatechin gallate	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite	low
aica ribonucleotide	1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole	cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
salvin	abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid	angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite	low
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger	low
obtusifoliol	14alpha-methyl steroid; 3beta-sterol	mouse metabolite; plant metabolite	low
baccatin iii	acetate ester; benzoate ester; tetracyclic diterpenoid	plant metabolite	low
secoisolariciresinol	secoisolariciresinol	antidepressant; phytoestrogen; plant metabolite	low
solanidine	3beta-hydroxy-Delta(5)-steroid; solanid-5-en-3-ol; steroid alkaloid fundamental parent	plant metabolite; toxin	low
valerophenone	aromatic ketone	plant metabolite; volatile oil component	low
2,4,6-trihydroxyacetophenone	aromatic ketone; benzenetriol; methyl ketone	MALDI matrix material; plant metabolite	low
tangeretin	pentamethoxyflavone	antineoplastic agent; plant metabolite	low
djenkolic acid	dithioacetal; L-cysteine derivative; non-proteinogenic L-alpha-amino acid	plant metabolite; toxin	low
1-hexacosanol	hexacosanol; very long-chain primary fatty alcohol	insecticide; plant metabolite	low
actinidine	cyclopentapyridine; pyridine alkaloid	pheromone; plant metabolite	low
7-methylxanthine	oxopurine; purine alkaloid	human xenobiotic metabolite; mouse metabolite; plant metabolite	low
1-octacosanol	fatty alcohol 28:0; ultra-long-chain primary fatty alcohol	plant metabolite	low
suberosin	aromatic ether; coumarins	anticoagulant; plant metabolite	low
artemisinin	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite	low
isoscopoletin	aromatic ether; hydroxycoumarin	plant metabolite	low
methyl syringate	benzoate ester; dimethoxybenzene; phenols	plant metabolite	low
gallocatechol	catechin; flavan-3,3',4',5,5',7-hexol	antioxidant; food component; plant metabolite	low
hesperetin	3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antineoplastic agent; antioxidant; plant metabolite	low
sesamin	benzodioxoles; furofuran; lignan	antineoplastic agent; neuroprotective agent; plant metabolite	low
tetrahydroalstonine	methyl ester; organic heteropentacyclic compound; yohimban alkaloid	plant metabolite	low
nobiletin	methoxyflavone	antineoplastic agent; plant metabolite	low
lycorine	indolizidine alkaloid	anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor	low
picropodophyllin	furonaphthodioxole; lignan; organic heterotetracyclic compound	antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor	low
alantolactone	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite	low
vexibinol	(2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone	antimalarial; antimicrobial agent; antioxidant; plant metabolite	low
kaurenoic acid	ent-kaurane diterpenoid	anti-HIV-1 agent; antineoplastic agent; plant metabolite	low
beta-amyrin	pentacyclic triterpenoid; secondary alcohol	Aspergillus metabolite; plant metabolite	low
pinostrobin	monohydroxyflavanone; monomethoxyflavanone	antidote; plant metabolite	low
xanthomicrol	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite	low
voacamine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; plant metabolite	low
isoalantolactone	eudesmane sesquiterpenoid; sesquiterpene lactone	antifungal agent; apoptosis inducer; plant metabolite	low
pulsatilla saponin a	disaccharide derivative; hydroxy monocarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; plant metabolite	low
hederagenin	dihydroxy monocarboxylic acid; pentacyclic triterpenoid; sapogenin	plant metabolite	low
magnoflorine	aporphine alkaloid; quaternary ammonium ion	plant metabolite	low
brazilin	catechols; organic heterotetracyclic compound; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite	low
strychnine n-oxide	monoterpenoid indole alkaloid; organic heteroheptacyclic compound; tertiary amine oxide	plant metabolite	low
pinoresinol	pinoresinol	hypoglycemic agent; phytoestrogen; plant metabolite	low
dauricine	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite	low
madecassic acid	monocarboxylic acid; pentacyclic triterpenoid; tetrol	antioxidant; plant metabolite	low
uvaretin	aromatic ether; dihydrochalcones; polyketide; resorcinol	antineoplastic agent; plant metabolite	low
fangchinoline	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite	low
sakuranetin	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavonoid phytoalexin; monomethoxyflavanone	antimycobacterial drug; plant metabolite	low
maslinic acid	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite	low
indole-5-carboxylic acid	indolecarboxylic acid	plant metabolite	low
1,3,7,9-tetramethyluric acid	oxopurine; purine alkaloid	analgesic; anti-inflammatory agent; human xenobiotic metabolite; plant metabolite	low
phenylalanylleucine	dipeptide zwitterion; dipeptide	plant metabolite	low
ethyl protocatechuate	catechols; ethyl ester	antibacterial agent; antioxidant; apoptosis inducer; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; plant metabolite	low
3,5-dimethoxytoluene	methoxybenzenes; toluenes	fragrance; plant metabolite	low
methylthioethanol	aliphatic sulfide; primary alcohol	plant metabolite; xenobiotic metabolite	low
cryptolepine	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite	low
alpha-bergamotene	bridged compound; polycyclic olefin; sesquiterpene	plant metabolite; volatile oil component	low
loganin	beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol	anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite	low
4-methyl-4-sulfanylpentan-2-one	alkanethiol; methyl ketone	plant metabolite; Saccharomyces cerevisiae metabolite	low
5,7-dimethoxyflavone	dimethoxyflavone	plant metabolite	low
nicotine	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic	low
loganic acid	alpha,beta-unsaturated monocarboxylic acid; cyclopentapyran; glucoside	plant metabolite	low
friedelin	cyclic terpene ketone; pentacyclic triterpenoid	anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite	low
cholest-4-en-3-one	3-oxo-Delta(4) steroid; cholestanoid	human metabolite; plant metabolite	low
delta-tocopherol	tocopherol; vitamin E	food antioxidant; plant metabolite	low
cycloartenol	3beta-sterol; pentacyclic triterpenoid; phytosterols	plant metabolite	low
beta-peltatin	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; plant metabolite	low
elemol	olefinic compound; sesquiterpenoid; tertiary alcohol	fragrance; plant metabolite	low
spathulenol	carbotricyclic compound; olefinic compound; sesquiterpenoid; tertiary alcohol	anaesthetic; plant metabolite; vasodilator agent; volatile oil component	low
mor-14	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite	low
vestitol	aromatic ether; hydroxyisoflavans; methoxyisoflavan	anti-inflammatory agent; phytoalexin; plant metabolite	low
gamma-tocopherol	tocopherol; vitamin E	algal metabolite; food antioxidant; plant metabolite	low
orotidine	nucleoside; pyrimidinemonocarboxylic acid; uridines	bacterial metabolite; fungal metabolite; plant metabolite	low
sugiol	abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols	antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger	low
erythrose	erythrose	plant metabolite	low
24-methylene cycloartanol	3beta-hydroxy steroid; pentacyclic triterpenoid	plant metabolite	low
panose	trisaccharide	plant metabolite	low
bursehernin	aromatic ether; benzodioxoles; butan-4-olide; lignan	plant metabolite	low
sesaminol	benzodioxoles; furofuran; organic hydroxy compound	antioxidant; plant metabolite	low
4',5,6,7-tetramethoxyflavone	tetramethoxyflavone	antimutagen; plant metabolite	low
gardenin b	monohydroxyflavone; tetramethoxyflavone	plant metabolite	low
quercetin 5,7,3',4'-tetramethyl ether	flavonols; tetramethoxyflavone	plant metabolite	low
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid	alpha-amino acid; aromatic amino acid; beta-carboline alkaloid	human urinary metabolite; human xenobiotic metabolite; plant metabolite; rat metabolite	low
sarsasapogenin, (3beta,5alpha,25r)-isomer	sapogenin	gout suppressant; plant metabolite	low
syringaresinol	aromatic ether; furofuran; lignan; polyether; polyphenol	plant metabolite	low
cyclolaudenol	3beta-hydroxy steroid; pentacyclic triterpenoid	plant metabolite	low
galgravin	aryltetrahydrofuran; dimethoxybenzene; lignan; ring assembly	bone density conservation agent; neuroprotective agent; plant metabolite; platelet aggregation inhibitor	low
erythrodiol	diol; pentacyclic triterpenoid; primary alcohol; secondary alcohol	plant metabolite	low
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol	carbobicyclic compound; pinane monoterpenoid; secondary alcohol	GABA modulator; mouse metabolite; plant metabolite; volatile oil component	low
selenomethionine	amino acid zwitterion; selenomethionine	plant metabolite	low
deguelin	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite	low
1,9-dideoxyforskolin	acetate ester; labdane diterpenoid; organic heterotricyclic compound	plant metabolite	low
daidzin	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite	low
triptolide	diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound	antispermatogenic agent; plant metabolite	low
indospicine	carboxamidine; non-proteinogenic L-alpha-amino acid	hepatotoxic agent; plant metabolite	low
cafestol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite	low
nimbin	acetate ester; cyclic terpene ketone; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	pesticide; plant metabolite	low
neoeriocitrin	4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; neohesperidoside; trihydroxyflavanone	plant metabolite	low
kahweol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite	low
valerates	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite	low
liquiritigenin	4',7-dihydroxyflavanone	hormone agonist; plant metabolite	low
s-sulphocysteine	organic thiosulfate; S-substituted L-cysteine	human metabolite; plant metabolite	low
megestrol acetate	bridged compound; organic heterotetracyclic compound; secondary alcohol; sesquiterpene lactone; spiro compound; tertiary alcohol; tetrol	GABA antagonist; neurotoxin; phytogenic insecticide; plant metabolite	low
stachydrine	alkaloid; amino-acid betaine; N-methyl-L-alpha-amino acid	food component; human blood serum metabolite; plant metabolite	low
echinuline	2,5-diketopiperazines; indole alkaloid; indoles; olefinic compound	Aspergillus metabolite; marine metabolite; plant metabolite	low
cubebin	benzodioxoles; cyclic acetal; lactol; lignan; secondary alcohol	analgesic; anti-inflammatory agent; antimicrobial agent; histamine antagonist; plant metabolite; trypanocidal drug	low
1'-acetoxychavicol acetate	acetate ester; phenylpropanoid	antineoplastic agent; NF-kappaB inhibitor; plant metabolite	low
hydrangenol	dihydroisocoumarins; phenols	anti-allergic agent; plant metabolite	low
matairesinol	gamma-lactone; lignan; polyphenol	angiogenesis inhibitor; anti-asthmatic agent; phytoestrogen; plant metabolite	low
astilbin	3'-hydroxyflavanones; 4'-hydroxyflavanones; alpha-L-rhamnoside; flavanone glycoside; monosaccharide derivative; tetrahydroxyflavanone	anti-inflammatory agent; plant metabolite; radical scavenger	low
ginsenoside rh2	12beta-hydroxy steroid; 20-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; bone density conservation agent; cardioprotective agent; hepatoprotective agent; plant metabolite	low
mannopine	amino acid opine; dicarboxylic acid monoamide; hexitol derivative; L-glutamine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound	plant metabolite	low
ribulose-1,5 diphosphate	ribulose phosphate	Escherichia coli metabolite; plant metabolite	low
swertisin	dihydroxyflavone; flavone C-glycoside; monomethoxyflavone; monosaccharide derivative; polyphenol	adenosine A1 receptor antagonist; anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite	low
senegalensin	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	antibacterial agent; plant metabolite	low
glabranin	(2S)-flavan-4-one; dihydroxyflavanone	plant metabolite	low
rubiadin	dihydroxyanthraquinone	antibacterial agent; antioxidant; hepatoprotective agent; plant metabolite	low
soranjidiol	dihydroxyanthraquinone	antibacterial agent; plant metabolite	low
skullcapflavone ii	dihydroxyflavone; tetramethoxyflavone	anti-asthmatic drug; plant metabolite	low
rubimaillin	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite	low
tiglic acid	2-methylbut-2-enoic acid	plant metabolite	low
psorospermin	epoxide; organic heterotetracyclic compound; xanthones	antineoplastic agent; plant metabolite	low
delphinidin	5-hydroxyanthocyanidin	antineoplastic agent; biological pigment; plant metabolite	low
sinensetin	pentamethoxyflavone	plant metabolite	low
n-methylserotonin	phenols; tryptamines	human metabolite; plant metabolite	low
lyxonic acid	lyxonic acid	plant metabolite	low
kolaviron	4'-methoxyflavanones; biflavonoid; dihydroflavonols; ring assembly; secondary alpha-hydroxy ketone	hepatoprotective agent; plant metabolite	low
spinosin	dihydroxyflavone; flavone C-glycoside; monomethoxyflavone	anxiolytic drug; plant metabolite	low
schizandrin b	aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin	anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite	low
acrovestone	acetophenones; aromatic ether; olefinic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite	low
cirsiliol	dimethoxyflavone; trihydroxyflavone	plant metabolite	low
isosakuranetin	(2S)-flavan-4-one; 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone	plant metabolite	low
matteucinol	4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone	plant metabolite; radical scavenger	low
guvacoline	alpha,beta-unsaturated carboxylic ester; beta-amino acid ester; enoate ester; methyl ester; pyridine alkaloid; secondary amino compound; tetrahydropyridine	muscarinic agonist; plant metabolite	low
corytuberine	aporphine alkaloid; aromatic ether; organic heterotetracyclic compound; polyphenol; tertiary amino compound	plant metabolite	low
actinodaphine	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor	low
ar-turmerone	enone; sesquiterpenoid	EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite	low
isolariciresinol	guaiacols; lignan; polyphenol; primary alcohol	plant metabolite	low
4'-demethyldesoxypodophyllotoxin	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols	antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite	low
t-cadinol	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	plant metabolite; volatile oil component	low
1-hydroxy-2-methylanthraquinone	monohydroxyanthraquinone	plant metabolite	low
nevadensin	dihydroxyflavone; trimethoxyflavone	plant metabolite	low
salvigenin	monohydroxyflavone; trimethoxyflavone	antilipemic drug; antineoplastic agent; apoptosis inhibitor; autophagy inducer; hypoglycemic agent; immunomodulator; neuroprotective agent; plant metabolite	low
secologanin	aldehyde; beta-D-glucoside; enoate ester; methyl ester; pyrans; secoiridoid glycoside	plant metabolite	low
columbianetin acetate	acetate ester; furanocoumarin	plant metabolite	low
maprounic acid	hydroxy monocarboxylic acid; pentacyclic triterpenoid	HIV-1 reverse transcriptase inhibitor; plant metabolite	low
acetyl aleuritolic acid	acetate ester; monocarboxylic acid; pentacyclic triterpenoid	antineoplastic agent; plant metabolite	low
myricanone	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite	low
glycyrrhetyl 3-monoglucuronide	beta-D-glucosiduronic acid; enone; monosaccharide derivative; oxo dicarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin	anti-allergic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human xenobiotic metabolite; plant metabolite; sweetening agent	low
hydroxysitosterol	3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid	metabolite; plant metabolite	low
capsidiol	eremophilane sesquiterpenoid; octahydronaphthalenes; sesquiterpene phytoalexin	antifungal agent; plant metabolite	low
phaseollin (isoflavan)	hydroxyisoflavans	plant metabolite	low
cirsilineol	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite	low
secoxyloganin	beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside	anti-allergic agent; antioxidant; plant metabolite	low
sclareol	labdane diterpenoid	antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite	low
butrin	4'-hydroxyflavanones; flavanone glycoside; monohydroxyflavanone	anti-inflammatory agent; plant metabolite	low
diplopterol	hopanoid; pentacyclic triterpenoid; tertiary alcohol	plant metabolite	low
anacardic acid	hydroxy monocarboxylic acid; hydroxybenzoic acid	anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite	low
confertin	cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide	anti-inflammatory agent; metabolite; plant metabolite	low
pluviatolide	aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols	plant metabolite	low
pectolinarin	dimethoxyflavone; disaccharide derivative; glycosyloxyflavone; monohydroxyflavanone; rutinoside	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite	low
inuviscolide	gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone; tertiary alcohol	anti-inflammatory agent; plant metabolite	low
helioxanthin	benzodioxoles; furonaphthodioxole; lignan	anti-HBV agent; antineoplastic agent; plant metabolite	low
(2S)-5,7-dihydroxy-6,8-dimethylflavanone	dihydroxyflavanone	EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite	low
medioresinol	dimethoxybenzene; furofuran; lignan; polyphenol	plant metabolite	low
5-heptadecylresorcinol	5-alkylresorcinol	antineoplastic agent; plant metabolite	low
(+)-epicatechin	catechin; polyphenol	cyclooxygenase 1 inhibitor; plant metabolite	low
kobusin	benzodioxoles; dimethoxybenzene; furofuran; lignan	plant metabolite	low
nootkatol	6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol	plant 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
dihydroresveratrol	stilbenol	plant metabolite; xenobiotic metabolite	low
glycitin	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative	plant metabolite	low
benzyl d-glucopyranoside	benzenes; beta-D-glucoside	plant metabolite	low
chrysosplenol c	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; antiviral agent; plant metabolite	low
5-o-methyllicoricidin	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite	low
(-)-gallocatechin gallate	catechin; gallate ester; polyphenol	antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite	low
pronuciferine	aromatic ether; cyclic ketone; isoquinoline alkaloid; isoquinolines; organic heterotetracyclic compound	plant metabolite	low
santonin	botanical anti-fungal agent; santonin	plant metabolite	low
sandaracopimaric acid	monocarboxylic acid; pimarane diterpenoid; tricyclic diterpenoid	plant metabolite	low
sitosterol, (3beta)-isomer	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor	low
erythritol	butane-1,2,3,4-tetrol	antioxidant; human metabolite; plant metabolite	low
stigmastanol	3-hydroxy steroid; phytosterols	anticholesteremic drug; plant metabolite	low
vincaleukoblastine	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite	low
lanosterol	14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid	bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
lupeol	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite	low
noscapine	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite	low
aromaticin	cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; metabolite; plant metabolite	low
methyl 3,4-dihydroxybenzoate	catechols; methyl ester	antioxidant; neuroprotective agent; plant metabolite	low
2-hydroxy-1,4-benzoxazin-3-one	benzoxazine; lactam; lactol	allelochemical; plant metabolite	low
menthofuran	1-benzofurans; monoterpenoid	nematicide; plant metabolite	low
lariciresinol	aromatic ether; lignan; oxolanes; phenols; primary alcohol	antifungal agent; plant metabolite	low
medicarpin	medicarpin	plant metabolite	low
anthricin	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes	antineoplastic agent; apoptosis inducer; plant metabolite	low
indole-3-acetonitrile	indoles; nitrile	auxin; human xenobiotic metabolite; plant hormone; plant metabolite	low
taiwanin c	benzodioxoles; furonaphthodioxole; lignan	antineoplastic agent; plant metabolite; platelet aggregation inhibitor	low
sampangine	alkaloid; organic heterotetracyclic compound	antifungal agent; plant metabolite	low
isochamaejasmin	biflavonoid; hydroxyflavone	plant metabolite	low
norbelladine	catechols; phenethylamine alkaloid; polyphenol; secondary amino compound	plant metabolite	low
canavanine	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite	low
raffinose	raffinose family oligosaccharide; trisaccharide	mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
naringenin	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite	low
5-hydroxytryptophan	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite	low
theanine	amino acid zwitterion; N(5)-alkyl-L-glutamine	geroprotector; neuroprotective agent; plant metabolite	low
ouabain	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite	low
scopolin	beta-D-glucoside; coumarins; monosaccharide derivative	plant metabolite	low
stachyose	raffinose family oligosaccharide; tetrasaccharide	mouse metabolite; plant metabolite	low
isomaltulose	glycosylfructose	animal metabolite; plant metabolite; sweetening agent	low
discretamine	berberine alkaloid; organic heterotetracyclic compound	EC 5.99.1.2 (DNA topoisomerase) inhibitor; plant metabolite	low
mimosine	4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid	EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite	low
pelargonidin	5-hydroxyanthocyanidin	plant metabolite	low
(+)-limonene	limonene	plant metabolite	low
hygrine	1-(1-methylpyrrolidin-2-yl)acetone; pyrrolidine alkaloid	plant metabolite	low
arbutin	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite	low
conessine	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite	low
canaline	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite	low
norpseudoephedrine	amphetamines; phenethylamine alkaloid	central nervous system stimulant; plant metabolite; psychotropic drug	low
sophoranone	4'-hydroxyflavanones; dihydroxyflavanone	plant metabolite	low
petunidin	5-hydroxyanthocyanidin	plant metabolite	low
glaucarubinone	carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol	antimalarial; antineoplastic agent; geroprotector; plant metabolite	low
helveticoside	14beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid aldehyde; steroid lactone	antineoplastic agent; apoptosis inducer; plant metabolite	low
ginsenoside re	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; nephroprotective agent; neuroprotective agent; plant metabolite	low
ginsenoside rf	12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite	low
3-o-(alpha-l-arabinopyranosyl)hederagenin	alpha-L-arabinopyranoside; hydroxy monocarboxylic acid; monosaccharide derivative; pentacyclic triterpenoid; triterpenoid saponin	plant metabolite	low
notoginsenoside r1	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antioxidant; apoptosis inducer; neuroprotective agent; phytoestrogen; plant metabolite	low
2-(2-phenylethyl)chromone	benzenes; chromones	plant metabolite	low
ferruginol	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent	low
stevioside	beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent	low
lenticin	amino-acid betaine; indole alkaloid; L-tryptophan derivative	fungal metabolite; plant metabolite; xenobiotic	low
absynthin	organic heteroheptacyclic compound; sesquiterpene lactone; triterpenoid	anti-inflammatory agent; plant metabolite	low
abyssinone i	monohydroxyflavanone; phenols	apoptosis inhibitor; plant metabolite	low
afzelechin	catechin; tetrahydroxyflavan	EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite	low
asebogenin	dihydrochalcones	plant metabolite	low
lactucin	azulenofuran; cyclic terpene ketone; enone; primary alcohol; secondary alcohol; sesquiterpene lactone	antimalarial; plant metabolite; sedative	low
picrotin	diol; epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	plant metabolite	low
picrotoxinin	epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	GABA antagonist; plant metabolite; serotonergic antagonist	low
solavetivone	cyclic ketone; sesquiterpenoid; spiro compound	phytoalexin; plant metabolite	low
thujopsene	thujopsene	plant metabolite	low
agnuside	benzoate ester; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; phenols; terpene glycoside	anti-inflammatory agent; cyclooxygenase 2 inhibitor; plant metabolite; pro-angiogenic agent	low
dolichodial	dialdehyde; iridoid monoterpenoid; olefinic compound	animal metabolite; plant metabolite; volatile oil component	low
theasinensin a	biflavonoid; gallate ester; proanthocyanidin	anti-inflammatory agent; anticoronaviral agent; apoptosis inducer; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; melanin synthesis inhibitor; plant metabolite	low
5,6,7-trimethoxyflavone	trimethoxyflavone	anti-HSV-1 agent; plant metabolite	low
ammodendrine	acetamides; N-acylpiperidine; piperidine alkaloid	plant metabolite; teratogenic agent	low
carpaine	alkaloid; macrodiolide	cardiovascular drug; plant metabolite	low
myosmine	pyridine alkaloid; pyrroline	EC 1.14.14.14 (aromatase) inhibitor; mutagen; plant metabolite	low
dihydropinosylvin	diphenylethane; resorcinols	EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite	low
gingerol	beta-hydroxy ketone; guaiacols	antineoplastic agent; plant metabolite	low
mucronulatol	hydroxyisoflavans; methoxyisoflavan	antineoplastic agent; plant metabolite	low
ononin	4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; monosaccharide derivative	plant metabolite	low
yatein	benzodioxoles; butan-4-olide; lignan; methoxybenzenes	plant metabolite	low
solasodine	alkaloid antibiotic; azaspiro compound; hemiaminal ether; oxaspiro compound; sapogenin; steroid alkaloid	anticonvulsant; antifungal agent; antiinfective agent; antioxidant; antipyretic; antispermatogenic agent; apoptosis inducer; cardiotonic drug; central nervous system depressant; diuretic; immunomodulator; plant metabolite; teratogenic agent	low
1-alpha-terpineol	alpha-terpineol	plant metabolite	low
7-deoxyloganic acid	alpha,beta-unsaturated monocarboxylic acid; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; monoterpene glycoside	plant metabolite	low
epiafzelechin	catechin	plant metabolite	low
maleic acid	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite	low
e-z cinnamic acid	cinnamic acid	plant metabolite	low
farnesol	farnesol	plant metabolite	low
resveratrol	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger	low
retinol	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite	low
oleic acid	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent	low
ferulic acid	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite	low
cocaine	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic	low
lycopene	acyclic carotene	antioxidant; plant metabolite	low
benzoylecgonine	benzoate ester; tropane alkaloid	epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite	low
zeatin	zeatin	plant metabolite	low
gamma-sitosterol	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols	marine metabolite; plant metabolite	low
costatolide	cyclic ether; delta-lactone; organic heterotetracyclic compound; secondary alcohol	HIV-1 reverse transcriptase inhibitor; plant metabolite	low
euscaphic acid	hydroxy monocarboxylic acid; pentacyclic triterpenoid; triol	plant metabolite	low
cinnamtannin b-1	proanthocyanidin	cyclooxygenase 2 inhibitor; plant metabolite	low
meso-dihydroguaiaretic acid	guaiacols; lignan	plant metabolite	low
8-prenylnaringenin	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	plant metabolite; platelet aggregation inhibitor	low
gancaonin I	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; plant metabolite	low
6,8-diprenylgenistein	7-hydroxyisoflavones	antibacterial agent; plant metabolite	low
glycyrin	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite	low
glyasperin D	aromatic ether; hydroxyisoflavans; methoxyisoflavan	plant metabolite	low
licoricidin	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite	low
pallidol	carbopolycyclic compound; polyphenol; stilbenoid	antifungal agent; antioxidant; plant metabolite	low
egonol	1-benzofurans; aromatic ether; benzodioxoles; primary alcohol	plant metabolite	low
23-hydroxytormentic acid	hydroxy monocarboxylic acid; pentacyclic triterpenoid; tetrol	anti-inflammatory agent; plant metabolite	low
riboflavin	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite	low
licocoumarone	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; apoptosis inducer; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite	low
likviriton	beta-D-glucoside; flavanone glycoside; monohydroxyflavanone; monosaccharide derivative	anti-inflammatory agent; anticoronaviral agent; plant metabolite	low
sodium benzoate	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite	low
3-mercaptohexanol	alkanethiol; primary alcohol	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite	low
3'-methoxyflavone	3'-methoxyflavones	plant metabolite	low
piperlactam s	alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols	anti-inflammatory agent; antioxidant; plant metabolite	low
piperyline	benzodioxoles; N-acylpyrrolidine; pyrrolidine alkaloid; tertiary carboxamide	antifungal agent; apoptosis inducer; plant metabolite	low
crotonic acid	2-butenoic acid	plant metabolite	low
rhapontin	rhaponticin	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 2.3.1.85 (fatty acid synthase) inhibitor; hypoglycemic agent; neuroprotective agent; plant metabolite	low
cinnamaldehyde	3-phenylprop-2-enal; cinnamaldehydes	antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent	low
methyl cinnamate	methyl cinnamate	antibacterial agent; fungal metabolite; nematicide; plant metabolite	low
trans-4-coumaric acid	4-coumaric acid	food component; mouse metabolite; plant metabolite	low
2,4-hexadienal	hexadienal; polyunsaturated fatty aldehyde; volatile organic compound	flavouring agent; plant metabolite	low
geraniol	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component	low
epipinoresinol	pinoresinol	marine metabolite; plant metabolite	low
sinapinic acid	sinapic acid	MALDI matrix material; plant metabolite	low
citral	enal; monoterpenoid; polyprenal	plant metabolite; volatile oil component	low
piperine	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite	low
squalene	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
coumestan	coumestans; delta-lactone	phytoestrogen; plant metabolite	low
antofine	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite	low
p-hydroxycinnamaldehyde	cinnamaldehydes	apoptosis inducer; EC 1.14.13.39 (nitric oxide synthase) inhibitor; plant metabolite	low
n-methylproline	L-alpha-amino acid zwitterion; L-proline derivative; tertiary amino compound	human metabolite; plant metabolite	low
vedelianin	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; plant metabolite	low
pedilstatin	acetate ester; phorbol ester; primary allylic alcohol	plant metabolite	low
nerol	3,7-dimethylocta-2,6-dien-1-ol	fragrance; plant metabolite; volatile oil component	low
cannabidiol	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite	low
amygdalin	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite	low
3,3',4,5'-tetrahydroxystilbene	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor	low
dehydrovomifoliol	dehydrovomifoliol	plant metabolite	low
isoeugenol	isoeugenol	plant metabolite	low
cotinine	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite	low
huperzine a	organic heterotricyclic compound; primary amino compound; pyridone; sesquiterpene alkaloid	EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent; nootropic agent; plant metabolite	low
nootkatone	carbobicyclic compound; enone; sesquiterpenoid	fragrance; insect repellent; plant metabolite	low
geranyl acetate	acetate ester; monoterpenoid	plant metabolite	low
coniferyl alcohol	guaiacols; phenylpropanoid	animal metabolite; monolignol; mouse metabolite; pheromone; plant metabolite; volatile oil component	low
geranylacetone	monoterpene ketone	flavouring agent; fragrance; plant metabolite; volatile oil component	low
aurapten	coumarins; monoterpenoid	antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary	low
chlorogenic acid	cinnamate ester; tannin	food component; plant metabolite	low
goitrin	5-ethenyl-1,3-oxazolidine-2-thione	antiviral agent; plant metabolite	low
7-deacetylgedunin	cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; antimalarial; metabolite; plant metabolite	low
manool	labdane diterpenoid; tertiary alcohol	antibacterial agent; antineoplastic agent; plant metabolite	low
2-oxindole-3-acetic acid	indole-3-acetic acids; monocarboxylic acid; oxindoles	plant metabolite	low
bigelovin	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite	low
cyclanoline	berberine alkaloid; quaternary ammonium ion	EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite	low
sideroxylin	dihydroxyflavone; monomethoxyflavone	plant metabolite	low
ladanein	dihydroxyflavone; dimethoxyflavone	antiviral agent; plant metabolite; radical scavenger	low
t-muurolol	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	bacterial metabolite; fungicide; marine metabolite; plant metabolite; volatile oil component	low
alpha-carotene	carotenoid beta-end derivative; cyclic carotene	plant metabolite; provitamin A	low
citramalate	dicarboxylic acid dianion	human metabolite; plant metabolite	low
fraxin	aromatic ether; beta-D-glucoside; hydroxycoumarin	anti-inflammatory agent; hepatoprotective agent; plant metabolite	low
decaprenoic acid	alpha,beta-unsaturated monocarboxylic acid; methyl-branched fatty acid; monoterpenoid; polyunsaturated fatty acid	antifungal agent; EC 1.14.18.1 (tyrosinase) inhibitor; melanin synthesis inhibitor; pheromone; plant metabolite	low
gallocatechin-3-gallate	catechin; gallate ester; polyphenol	plant metabolite	low
quercetin	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger	low
coniferin	aromatic ether; cinnamyl alcohol beta-D-glucoside; monosaccharide derivative	plant metabolite	low
biochanin a	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor	low
formononetin	4'-methoxyisoflavones; 7-hydroxyisoflavones	phytoestrogen; plant metabolite	low
gibberellin a1	C19-gibberellin; gibberellin monocarboxylic acid; lactone	plant metabolite	low
leukotriene a4	epoxy fatty acid; leukotriene; long-chain fatty acid; oxylipin; polyunsaturated fatty acid	human metabolite; mouse metabolite; plant metabolite	low
sinapine	acylcholine	antioxidant; photosynthetic electron-transport chain inhibitor; plant metabolite	low
trans-phytol	diterpenoid; long-chain primary fatty alcohol	algal metabolite; plant metabolite; schistosomicide drug	low
vitexin	C-glycosyl compound; trihydroxyflavone	antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor	low
acacetin	dihydroxyflavone; monomethoxyflavone	anticonvulsant; plant metabolite	low
luteolin	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist	low
linoleic acid	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite	low
quercitrin	alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite	low
scopoletin	hydroxycoumarin	plant growth regulator; plant metabolite	low
beta carotene	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A	low
leukotriene b4	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent	low
coniferaldehyde	cinnamaldehydes; guaiacols; phenylpropanoid	antifungal agent; plant metabolite	low
herbacetin	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; plant metabolite	low
5'-o-caffeoylquinic acid	cinnamate ester; cyclitol carboxylic acid	plant metabolite	low
luteolin-7-glucoside	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antioxidant; plant metabolite	low
gossypetin	7-hydroxyflavonol; hexahydroxyflavone	plant metabolite	low
ayanin	dihydroxyflavone; trimethoxyflavone	plant metabolite	low
apiin	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone	EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite	low
(all-e) phytoene	phytoene	plant metabolite	low
vitamin d 2	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide	low
stigmasterol	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol	plant metabolite	low
sinapaldehyde	cinnamaldehydes; dimethoxybenzene; phenols	antifungal agent; plant metabolite	low
quercetin 3-o-glucopyranoside	beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite	low
3-methylkaempferol	monomethoxyflavone; trihydroxyflavone	plant metabolite	low
kaempferol	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite	low
abscisic acid	2-cis-abscisic acid	plant hormone; plant metabolite	low
senecionine	lactone; pyrrolizidine alkaloid; tertiary alcohol	plant metabolite	low
gamma-linolenic acid	linolenic acid; omega-6 fatty acid	human metabolite; mouse metabolite; plant metabolite	low
genistein	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor	low
petroselinic acid	octadec-6-enoic acid	plant metabolite	low
cyclobenzaprine	9,11,13-octadecatrienoic acid	antineoplastic agent; plant metabolite	low
jasmonic acid	oxo monocarboxylic acid	jasmonates; plant metabolite	low
2-hexenal, z-isomer	2-hexenal	antibacterial agent; flavouring agent; plant metabolite	low
aureusidin	hydroxyaurone	plant metabolite	low
butein	chalcones; polyphenol	antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor	low
antheraxanthin	epoxycarotenol	biological pigment; marine metabolite; plant metabolite	low
astaxanthine	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite	low
capsanthin	carotenone	plant metabolite	low
gardenia yellow	diester; disaccharide derivative; diterpenoid	antioxidant; food colouring; histological dye; plant metabolite	low
cryptoxanthins	carotenol	antioxidant; biomarker; plant metabolite; provitamin A	low
lutein	carotenol	food colouring; plant metabolite	low
hispidol	hydroxyaurone	plant metabolite	low
isobutrin	beta-D-glucoside; chalcones; monosaccharide derivative; phenols	anti-inflammatory agent; hepatoprotective agent; plant metabolite	low
cassaine	enoate ester; organic hydroxy compound; tertiary amino compound; tricyclic diterpenoid	antihypertensive agent; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; local anaesthetic; plant metabolite; poison	low
okanin	benzenetriol; chalcones	plant metabolite	low
cucurbitacin i	cucurbitacin; tertiary alpha-hydroxy ketone	antineoplastic agent; plant metabolite	low
brassicasterol	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	algal metabolite; animal metabolite; biomarker; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; human metabolite; marine metabolite; plant metabolite; sterol biosynthesis inhibitor	low
harman	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite	low
esculetin	hydroxycoumarin	antioxidant; plant metabolite; ultraviolet filter	low
7-hydroxycoumarin	hydroxycoumarin	fluorescent probe; food component; plant metabolite	low
eupatolide	gamma-lactone; germacranolide; homoallylic alcohol; secondary alcohol	antineoplastic agent; plant metabolite	low
petasin	alicyclic ketone; enoate ester; enone; sesquiterpenoid	anti-allergic agent; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator; plant metabolite; vasodilator agent	low
oleuropein	beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside	anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger	low
amentoflavone	biflavonoid; hydroxyflavone; ring assembly	angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite	low
apigenin dimethylether	dimethoxyflavone; monohydroxyflavone	plant metabolite	low
axillarin	dimethoxyflavone; tetrahydroxyflavone	plant metabolite	low
azaleatin	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	plant metabolite	low
baicalein	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger	low
chrysin	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite	low
chrysosplenetin b	dihydroxyflavone; tetramethoxyflavone	antiviral agent; plant metabolite	low
diosmetin	3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent	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
galangin	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite	low
gossypin	7-hydroxyflavonol; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone	neuroprotective agent; plant metabolite	low
hispidulin	monomethoxyflavone; trihydroxyflavone	anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite	low
euxanthone	phenols; xanthones	metabolite; plant metabolite	low
gartanin	polyphenol; xanthones	antineoplastic agent; plant metabolite	low
gentiacaulein	aromatic ether; polyphenol; xanthones	plant metabolite	low
gentisein	polyphenol; xanthones	plant metabolite	low
gentisin	aromatic ether; polyphenol; xanthones	plant metabolite	low
isogentisin	aromatic ether; polyphenol; xanthones	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite	low
hyperoside	beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite	low
mangiferin	C-glycosyl compound; xanthones	anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite	low
mangostin	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite	low
1,8-dihydroxy-3,7-dimethoxyxanthone	aromatic ether; polyphenol; xanthones	plant metabolite	low
norathyriol	polyphenol; xanthones	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite	low
1,2,8-trihydroxy-6-methoxyxanthone	aromatic ether; polyphenol; xanthones	antioxidant; plant metabolite	low
kuwanon g	resorcinols; tetrahydroxyflavone	anti-inflammatory agent; plant metabolite	low
kuwanon h	resorcinols; tetrahydroxyflavone	plant metabolite	low
morusin	extended flavonoid; trihydroxyflavone	antineoplastic agent; plant metabolite	low
myricetin	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite	low
myricitrin	alpha-L-rhamnoside; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone	anti-allergic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite	low
pachypodol	dihydroxyflavone; trimethoxyflavone	antiemetic; plant metabolite	low
quercetagetin	flavonols; hexahydroxyflavone	antioxidant; antiviral agent; plant metabolite	low
robinetin	7-hydroxyflavonol; pentahydroxyflavone	plant metabolite	low
robinin	dihydroxyflavone; glycosyloxyflavone	plant metabolite	low
santin	dihydroxyflavone; trimethoxyflavone	plant metabolite	low
wogonin	dihydroxyflavone; monomethoxyflavone	angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite	low
7-hydroxy-6,4'-dimethoxyisoflavone	4'-methoxyisoflavones; 7-hydroxyisoflavones	plant metabolite	low
coumestrol	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite	low
daidzein	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite	low
pterostilbene	diether; methoxybenzenes; stilbenol	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger	low
genistein-8-c-glucoside	7-hydroxyisoflavones; C-glycosyl compound	plant metabolite	low
5-o-caffeoylshikimic acid	alpha,beta-unsaturated monocarboxylic acid; carboxylic ester; catechols; cyclohexenecarboxylic acid	plant metabolite	low
cynarine	alkyl caffeate ester; quinic acid	plant metabolite	low
iridin	4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite	low
rosmarinic acid	rosmarinic acid	geroprotector; plant metabolite	low
acteoside	catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol	anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite	low
orobol	7-hydroxyisoflavones	anti-inflammatory agent; fungal metabolite; plant metabolite; radical scavenger	low
psi-baptigenin	7-hydroxyisoflavones; benzodioxoles	antiprotozoal drug; plant metabolite	low
psoralidin	coumestans; delta-lactone; polyphenol	estrogen receptor agonist; plant metabolite	low
puerarin	C-glycosyl compound; hydroxyisoflavone	plant metabolite	low
tectoridin	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative	plant metabolite	low
tectorigenin	7-hydroxyisoflavones; methoxyisoflavone	anti-inflammatory agent; plant metabolite	low
wighteone	7-hydroxyisoflavones	antifungal agent; plant metabolite	low
maytansine	alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound	antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator	low
ellagic acid	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent	low
savinin	benzodioxoles; gamma-lactone; lignan	anti-inflammatory agent; anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite; T-cell proliferation inhibitor	low
tectochrysin	monohydroxyflavone; monomethoxyflavone	antidiarrhoeal drug; antineoplastic agent; plant metabolite	low
2'-hydroxygenistein	hydroxyisoflavone	plant metabolite	low
astragalin	beta-D-glucoside; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	plant metabolite; trypanocidal drug	low
cinnamyl acetate	acetate ester	plant metabolite	low
kaempferol-3-o-galactoside	beta-D-galactoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antifungal agent; plant metabolite	low
vitexin rhamnoside	C-glycosyl compound; disaccharide derivative; trihydroxyflavone	plant metabolite	low
kaempferol 3-o-sophoroside	sophoroside; trihydroxyflavone	plant metabolite	low
quercetin-3-o-sophoroside	sophoroside; tetrahydroxyflavone	antioxidant; plant metabolite	low
ethyl linoleate	long-chain fatty acid ethyl ester	anti-inflammatory agent; plant metabolite	low
plaunotol	diterpenoid; primary alcohol	anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary	low
sofalcone	aromatic ether; chalcones; monocarboxylic acid	anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite	low
xanthoxin	apo carotenoid sesquiterpenoid; enal	plant growth retardant; plant metabolite	low
tocotrienol, alpha	tocotrienol; vitamin E	ferroptosis inhibitor; human metabolite; neuroprotective agent; plant metabolite	low
tocotrienol, beta	tocotrienol; vitamin E	antineoplastic agent; apoptosis inducer; plant metabolite	low
gamma-tocotrienol	tocotrienol; vitamin E	antineoplastic agent; antioxidant; apoptosis inducer; hepatoprotective agent; plant metabolite; radiation protective agent	low
tocotrienol, delta	tocotrienol; vitamin E	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite	low
4-hydroxychalcone	chalcones; phenols	antihypertensive agent; plant metabolite	low
9-hydroxy-10,12-octadecadienoic acid	HODE; octadecadienoic acid	human metabolite; metabolite; mouse metabolite; plant metabolite	low
2-heptenal	enal; medium-chain fatty aldehyde; monounsaturated fatty aldehyde	plant metabolite; uremic toxin	low
2-nonenal, (trans)-isomer	enal; medium-chain fatty aldehyde; monounsaturated fatty aldehyde	plant metabolite	low
oleylamide	primary fatty amide	human metabolite; plant metabolite	low
1-monooleoyl-rac-glycerol	1-acylglycerol 18:1; monooleoylglycerol	plant metabolite	low
monolinolein	1-acylglycerol 18:2; rac-1-monoacylglycerol	antiviral agent; human metabolite; plant metabolite	low
methyl linoleate	fatty acid methyl ester	plant metabolite	low
vitamin k 1	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite	low
morphine	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic	low
delta(3)-hexadecenoic acid	hexadecenoic acid	plant metabolite	low
stearidonic acid	long-chain fatty acid; octadecatetraenoic acid; omega-3 fatty acid	Daphnia galeata metabolite; mouse metabolite; plant metabolite	low
juniperonic acid	icosatetraenoic acid	plant metabolite	low
casticin	dihydroxyflavone; tetramethoxyflavone	apoptosis inducer; plant metabolite	low
rosmarinic acid	carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor	low
cannabigerol	phytocannabinoid; resorcinols	anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite	low
centaureidin	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite	low
cinnamyl alcohol	cinnamyl alcohol	plant metabolite	low
7-demethylsuberosin	hydroxycoumarin	plant metabolite	low
kaempferol 3-o-rhamnoside	glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	anti-inflammatory agent; antibacterial agent; plant metabolite	low
syringin	beta-D-glucoside; dimethoxybenzene; monosaccharide derivative; primary alcohol	hepatoprotective agent; plant metabolite	low
3,3'-di-o-methylquercetin	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
glycitein	7-hydroxyisoflavone; methoxyisoflavone	fungal metabolite; phytoestrogen; plant metabolite	low
glycycoumarin	aromatic ether; coumarins; resorcinols	antispasmodic drug; plant metabolite	low
quadrangularin a	indanes; polyphenol; stilbenoid	antioxidant; plant metabolite	low
isoginkgetin	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite	low
isomangiferin	C-glycosyl compound; polyphenol; xanthones	anti-HSV-1 agent; plant metabolite	low
isosalipurposide	beta-D-glucoside; chalcones; monosaccharide derivative; resorcinols	antioxidant; plant metabolite	low
kaempferol-3-o-rutinoside	disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone	metabolite; plant metabolite; radical scavenger	low
luteolin 4'-o-glucoside	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	plant metabolite	low
methyl linolenate	fatty acid methyl ester	insect attractant; plant metabolite	low
3'-o-methylorobol	hydroxyisoflavone; methoxyisoflavone	plant metabolite	low
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone	trihydroxyanthraquinone	plant metabolite	low
cudraflavone c	tetrahydroxyflavone	antibacterial agent; antineoplastic agent; plant metabolite	low
muromonab-cd3	extended flavonoid; pyranochromane; trihydroxyflavone	anti-inflammatory agent; plant metabolite	low
neobavaisoflavone	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; plant metabolite; platelet aggregation inhibitor	low
neoglycyrol	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; plant metabolite	low
beta-ocimene	beta-ocimene	plant metabolite	low
ombuine	dimethoxyflavone; flavonols; trihydroxyflavone	anti-inflammatory agent; plant metabolite	low
osthenol	hydroxycoumarin	antifungal agent; plant metabolite	low
5,7-dihydroxy-4',6-dimethoxyflavone	dihydroxyflavone; dimethoxyflavone	plant metabolite	low
tiliroside	cinnamate ester; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	plant metabolite	low
spiraeoside	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; plant metabolite	low
rhamnazin	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite	low
kaempferol-7-methyl ether	flavonols; monomethoxyflavone; trihydroxyflavone	plant metabolite	low
oridonin	cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol	angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
7,8-dimethylalloxazine	7,8-dimethylbenzo[g]pteridine-2,4-dione	plant metabolite	low
ergothioneine	1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid	antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite	low
ermanin	dihydroxyflavone; dimethoxyflavone	anti-inflammatory agent; antimycobacterial drug; antineoplastic agent; apoptosis inducer; plant metabolite	low
5-hydroxy-3,3',4',7-tetramethoxyflavone	3'-methoxyflavones; monohydroxyflavone; tetramethoxyflavone	plant metabolite	low
methyl 2,5-dihydroxycinnamate	cinnamate ester; hydroquinones; methyl ester	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; geroprotector; human urinary metabolite; plant metabolite	low
methyl ferulate	cinnamate ester; guaiacols; methyl ester	plant metabolite	low
lichexanthone	aromatic ether; phenols; xanthones	plant metabolite	low
glyceryl behenate	1-monoglyceride; fatty acid ester	antineoplastic agent; plant metabolite	low
ethyl oleate	long-chain fatty acid ethyl ester	acaricide; plant metabolite	low
2-pentenal	2-pentenal	plant metabolite	low
erucyl amide	13-docosenamide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite; mammalian metabolite; plant metabolite; rat metabolite	low
beta-damascenone	apo carotenoid monoterpenoid; cyclic monoterpene ketone; enone	fragrance; plant metabolite; volatile oil component	low
piperic acid	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite	low
pipercallosidine	alkaloid; benzodioxoles; enamide; secondary carboxamide	apoptosis inducer; metabolite; plant metabolite	low
dehydrodiconiferyl alcohol	1-benzofurans; guaiacols; guaiacyl lignin; primary alcohol	anti-inflammatory agent; plant metabolite	low
noreugenin	chromones; resorcinols	plant metabolite	low
decussatin	aromatic ether; phenols; xanthones	plant metabolite	low
ecdysterone	14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid	animal metabolite; plant metabolite	low
beta-aminopropionitrile fumarate (2:1)	fumarate salt	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite	low
gamma-mangostin	phenols; xanthones	antineoplastic agent; plant metabolite; protein kinase inhibitor	low
irigenin	4'-methoxyisoflavones; hydroxyisoflavone	plant metabolite	low
5,4'-dihydroxy-7,3'-dimethoxyflavone	dihydroxyflavone; dimethoxyflavone	anti-allergic agent; anti-inflammatory agent; antibacterial agent; antioxidant; melanin synthesis inhibitor; plant metabolite	low
1,7-dihydroxy-4-methoxyxanthone	aromatic ether; phenols; xanthones	metabolite; plant metabolite	low
tetrahydroxycurcumin	beta-diketone; catechols; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; neuroprotective agent; plant metabolite	low
zerumbone	cyclic ketone; sesquiterpenoid	anti-inflammatory agent; glioma-associated oncogene inhibitor; plant metabolite	low
solanesol	nonaprenol; primary alcohol	plant metabolite	low
semilicoisoflavone b	7-hydroxyisoflavones	EC 1.1.1.21 (aldehyde reductase) inhibitor; plant metabolite	low
lespenefril	alpha-L-rhamnoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; apoptosis inducer; bone density conservation agent; hypoglycemic agent; immunomodulator; plant metabolite	low
quercetin 3-sambubioside	disaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antioxidant; plant metabolite	low
baohuoside i	glycosyloxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
avicularin	alpha-L-arabinofuranoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite	low
ochnaflavone	aromatic ether; biflavonoid; hydroxyflavone	anti-inflammatory agent; antiatherogenic agent; antibacterial agent; EC 3.1.1.4 (phospholipase A2) inhibitor; leukotriene antagonist; plant metabolite	low
isowighteone	7-hydroxyisoflavones	plant metabolite	low
triolein	triglyceride	Caenorhabditis elegans metabolite; plant metabolite	low
resiniferatoxin	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist	low
lyoniside	beta-D-glucoside; monosaccharide derivative; steroid saponin	plant metabolite	low
4-hydroxycordoin	aromatic ether; chalcones; polyphenol	anti-inflammatory agent; antibacterial agent; plant metabolite	low
n-feruloylserotonin	aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide	plant metabolite	low
zosteric acid	aryl sulfate; cinnamic acids	antifouling biocide; plant metabolite	low
eupomatenoid 6	benzofurans; phenols	anti-inflammatory agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; NF-kappaB inhibitor; plant metabolite	low
amaranthin betacyanin	disaccharide derivative; indoles; olefinic compound; tetrahydropyridine	biological pigment; plant metabolite	low
mevalonolactone	4-hydroxy-4-methyloxan-2-one	fungal metabolite; plant metabolite	low
coronardine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antileishmanial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
columbianadin	alpha,beta-unsaturated carboxylic ester; furanocoumarin	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite	low
thunberginol f	catechols; gamma-lactone; isobenzofuranone	metabolite; plant metabolite	low
9-hydroxy-10,12,15-octadecatrienoic acid	9-HOTrE	plant metabolite	low
valerenic acid	carbobicyclic compound; monocarboxylic acid; sesquiterpenoid	GABA modulator; plant metabolite; sedative; volatile oil component	low
zeatin riboside	9-ribosylzeatin; nucleoside analogue	cytokinin; plant metabolite	low
acuminatin	1-benzofurans; dimethoxybenzene; neolignan; olefinic compound; ring assembly	fungal metabolite; plant metabolite	low
cucurbitacin I 2-O-beta-D-glucopyranoside	beta-D-glucoside; cucurbitacin; monosaccharide derivative; tertiary alpha-hydroxy ketone; triterpenoid saponin	plant metabolite	low
perflubron	2-acyl-4-prenylphloroglucinol; chalcones	plant metabolite	low
tuberonic acid	cyclopentanones; homoallylic alcohol; oxo monocarboxylic acid; primary alcohol	jasmonates; plant metabolite	low
salvianolic acid B	1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite	low
trilobatin	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	anti-inflammatory agent; antioxidant; plant metabolite; sweetening agent	low
2',4',6'-trihydroxychalcone	chalcones	antifungal agent; plant metabolite	low
beta-tocopherol	tocopherol; vitamin E	food component; plant metabolite	low
nyasol	1,3-bis(p-hydroxyphenyl)pentane-1,4-diene	plant metabolite	low
ginsenoside rb2	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antiviral agent; hypoglycemic agent; plant metabolite	low
3-tyrosine	hydroxyphenylalanine; L-alpha-amino acid zwitterion; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; phenols	plant metabolite	low
alpha-solanine	glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative	antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite	low
3-O-feruloyl-D-quinic acid	enoate ester; quinic acid	plant metabolite	low
ginsenoside f1	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; 6alpha-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	apoptosis inhibitor; plant metabolite	low
capsiate	carboxylic ester; monomethoxybenzene; phenols	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite	low
p-coumaric acid glucoside	4-O-beta-D-glucosyl-4-coumaric acid	plant metabolite	low
ginsenoside m1	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; hepatoprotective agent; plant metabolite	low
nicotianamine	amino acid zwitterion; nicotianamine	chelator; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; plant metabolite	low
ginsenoside rb1	ginsenoside; glycoside; tetracyclic triterpenoid	anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger	low
6''-o-malonyldaidzin	glycosyloxyisoflavone; hydroxyisoflavone; malonate ester; monosaccharide derivative	plant metabolite	low
ginsenoside f2	12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite	low
ginsenoside rg3	ginsenoside; glycoside; tetracyclic triterpenoid	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid	11-oxo steroid; 3-oxo steroid; 7-oxo steroid; ergostanoid; monocarboxylic acid; steroid acid	anti-inflammatory agent; antineoplastic agent; plant metabolite	low
hetacillin	guaiacols; lignan; oxolanes; polyphenol; tetrol	plant metabolite	low
kaempferol 7-o-glucoside	beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite; plant metabolite; radical scavenger	low
3-epi-fagomine	amino monosaccharide; hydroxypiperidine; primary alcohol; secondary alcohol; secondary amino compound; triol	EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor; EC 3.2.1.23 (beta-galactosidase) inhibitor; plant metabolite	low
akuammicine	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite	low
demethylzeylasteral	arenecarbaldehyde; benzenediols; carbopolycyclic compound; cyclic ketone; enone; oxo monocarboxylic acid	anti-inflammatory agent; EC 2.4.1.17 (glucuronosyltransferase) inhibitor; immunosuppressive agent; nephroprotective agent; plant metabolite	low
alpha-cadinol	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	fungicide; plant metabolite; volatile oil component	low
11-hydroxysugiol	abietane diterpenoid; carbotricyclic compound; catechols; cyclic terpene ketone; meroterpenoid	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite	low
triptohypol C	benzenediols; monocarboxylic acid; pentacyclic triterpenoid	apoptosis inducer; plant metabolite	low
trilobacin	butenolide; polyketide; triol	antineoplastic agent; plant metabolite	low
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone	chalcones; monomethoxybenzene; resorcinols	EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite	low
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one	diarylheptanoid; enone; phenols	plant metabolite	low
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one	diarylheptanoid; enone; phenols	plant 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
azadirone	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	antineoplastic agent; antiplasmodial drug; plant metabolite	low
dihydroartemisinic acid	carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid	plant metabolite	low
atractyligenine	carbotetracyclic compound; dihydroxy monocarboxylic acid; ent-kaurane diterpenoid; tetracyclic diterpenoid	plant metabolite	low
dihydrogenistin	beta-D-glucoside; hydroxyisoflavanone; monosaccharide derivative	plant metabolite	low
n-benzylhexadecanamide	macamide; secondary carboxamide	EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; neuroprotective agent; plant metabolite	low
triphosphate	aldehyde; indole alkaloid; organic heteropentacyclic compound	plant metabolite	low
aspalathin	C-glycosyl compound; catechols; dihydrochalcones; polyketide; polyphenol	antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; hypoglycemic agent; plant metabolite	low
glyceryl ferulate	1-monoglyceride; aromatic ether; enoate ester; phenols	antioxidant; plant metabolite; ultraviolet filter	low
obolactone	2-pyranones; 4-pyranones	antineoplastic agent; plant metabolite	low
quinine	Aspidosperma alkaloid; epoxide; methyl ester; monoterpenoid indole alkaloid; organic heterohexacyclic compound	plant metabolite	low
alpha-onocerin	diol; olefinic compound; secondary alcohol; triterpenoid	plant metabolite	low
kalopanax saponin b	carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; plant metabolite	low
ginsenoside rd	beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-inflammatory drug; apoptosis inducer; immunosuppressive agent; neuroprotective agent; plant metabolite; vulnerary	low
(+)-dehydrodiconiferyl alcohol	dehydrodiconiferyl alcohol	antioxidant; plant metabolite	low
gedunin	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite	low
morelloflavone	biflavonoid; hydroxyflavanone; hydroxyflavone	plant metabolite	low
2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite	low
azadiradione	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	anti-inflammatory agent; antimycobacterial drug; plant metabolite	low
(-)-pinoresinol	pinoresinol	plant metabolite	low
oplodiol	carbobicyclic compound; octahydronaphthalenes; secondary alcohol; sesquiterpenoid; tertiary alcohol	plant metabolite	low
roburic acid	monocarboxylic acid; olefinic compound; tetracyclic triterpenoid	plant metabolite	low
ginsenoside rc	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	hypoglycemic agent; plant metabolite	low
ginsenoside rh1	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	plant metabolite	low
ginsenoside rb3	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antidepressant; antioxidant; cardioprotective agent; neuroprotective agent; NMDA receptor antagonist; plant metabolite	low
eriodictyol 7-O-beta-D-glucopyranoside	beta-D-glucoside; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	plant metabolite; radical scavenger	low
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one	alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound	anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite	low
astragaloside IV	pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; antioxidant; EC 4.2.1.1 (carbonic anhydrase) inhibitor; neuroprotective agent; plant metabolite; pro-angiogenic agent	low
1-O-feruloyl-beta-D-glucose	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite	low
astragaloside ii	beta-D-glucoside; monosaccharide derivative; oxolanes; pentacyclic triterpenoid; triterpenoid saponin	plant metabolite	low
ligstroside	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite	low
23-hydroxyursolic acid	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite	low
dihydroconiferyl alcohol glucoside	beta-D-glucoside; monomethoxybenzene; monosaccharide derivative; primary alcohol	plant metabolite	low
oroxylin a-7-o-glucuronide	beta-D-glucosiduronic acid; glycosyloxyflavone; monohydroxyflavone; monomethoxyflavone; monosaccharide derivative	plant metabolite	low
5-deoxystrigol	indenofuran; strigolactone	plant metabolite	low
2,3-dihydrowithaferin A	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	plant metabolite	low
vibsanin b	cyclic terpene ketone; enone; tertiary alcohol; vibsane diterpenoid	plant growth retardant; plant metabolite	low
malonylgenistin	beta-D-glucoside; glycosyloxyisoflavone; hydroxyisoflavone; malonate ester; monosaccharide derivative	plant metabolite	low
adonixanthin	carotenone; cyclic ketone; secondary alcohol	algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite	low
niga-ichigoside f1	beta-D-glucoside; monosaccharide derivative; pentacyclic triterpenoid; tetrol; triterpenoid saponin	plant metabolite	low
cinnamtannin a2	proanthocyanidin	plant metabolite	low
benzoylaconine	benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol	phytotoxin; plant metabolite	low
miltiradiene	abietadiene; carbotricyclic compound	plant metabolite	low
tricin 4'-o-(threo-beta-guaiacylglyceryl) ether	dimethoxybenzene; flavonolignan; polyphenol; primary alcohol; secondary alcohol	plant metabolite	low
triptotriterpenic acid a	diol; hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite	low
cycloeucalenone	3-oxo-5alpha-steroid; cyclic terpene ketone; pentacyclic triterpenoid	plant metabolite	low
deoxyaconitine	acetate ester; benzoate ester; bridged compound; diol; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary amino compound	plant metabolite	low
ginsenoside rg2	12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	anticoagulant; cardioprotective agent; plant metabolite	low
cauloside D	carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; plant metabolite	low
oxypaeoniflora	4-hydroxybenzoate ester; beta-D-glucoside; bridged compound; cyclic acetal; lactol; monoterpene glycoside	plant metabolite	low
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one	aromatic ether; homoisoflavonoid; polyphenol	angiogenesis modulating agent; plant metabolite	low
vindolinine	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite	low
rubusoside	beta-D-glucoside; bridged compound; steviol glycoside; tetracyclic diterpenoid	plant metabolite; sweetening agent	low
madecassoside	carboxylic ester; pentacyclic triterpenoid; trisaccharide derivative; triterpenoid saponin	anti-inflammatory agent; antioxidant; antirheumatic drug; plant metabolite; vulnerary	low
benzoylmesaconine	benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol	analgesic; antiinfective agent; plant metabolite	low
albiflorin	benzoate ester; beta-D-glucoside; bridged compound; gamma-lactone; monoterpene glycoside; secondary alcohol	neuroprotective agent; plant metabolite	low
6-tuliposide b	6-O-acyl-D-glucose; enoate ester	antibacterial agent; antifungal agent; plant metabolite	low
quercetin 3-o-glucoside-7-o-rhamnoside	beta-D-glucoside; quercetin O-glucoside; trihydroxyflavone	plant metabolite; trypanocidal drug	low
10-nonacosanol	secondary fatty alcohol; ultra-long-chain fatty alcohol	plant metabolite	low
(E)-sinapaldehyde 4-O-beta-D-glucopyranoside	beta-D-glucoside; cinnamaldehydes; dimethoxybenzene; monosaccharide derivative	plant metabolite	low
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one	diarylheptanoid; ketone; phenols	plant metabolite	low
kurarinol	4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	anti-inflammatory agent; antioxidant; plant 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
gypenoside XVII	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	plant metabolite	low
euonine	acetate ester; dihydroagarofuran sesquiterpenoid; macrolide; pyridine alkaloid; sesquiterpene alkaloid	immunosuppressive agent; insecticide; plant metabolite	low
picrinine	alkaloid ester; indole alkaloid; methyl ester; organic heteropentacyclic compound; polycyclic ether	analgesic; anti-asthmatic agent; anti-inflammatory agent; antitussive; plant metabolite	low
(20R)-ginsenoside Rg3	ginsenoside; glycoside; tetracyclic triterpenoid	antioxidant; plant metabolite	low
epoxyazadiradione	acetate ester; cyclic terpene ketone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; insecticide; plant metabolite	low
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide	acetamides; hydroxyindoles; tryptamines	antineoplastic agent; apoptosis inducer; plant metabolite	low
ascorbic acid	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent	low
salicylates	monohydroxybenzoate	plant metabolite	low
orobanchol	indenofuran; secondary alcohol; strigolactone	plant metabolite	low
oleuropein aglycone	catechols; diester; lactol; methyl ester; pyrans; secoiridoid	anti-inflammatory agent; antioxidant; mTOR inhibitor; neuroprotective agent; plant metabolite; TRPA1 channel agonist	low
stemmadenine	Aspidosperma alkaloid; methyl ester; monoterpenoid indole alkaloid; organic heterotetracyclic compound; primary alcohol	plant metabolite	low
capilliposide b	alpha-L-arabinopyranoside; bridged compound; cyclic ether; diol; hexacyclic triterpenoid; hexanoate ester; lactol; secondary alcohol; tetrasaccharide derivative; triterpenoid saponin	antineoplastic agent; plant metabolite	low
paeoniflorigenone	alicyclic ketone; benzoate ester; bridged compound; cyclic acetal; lactol; monoterpenoid	neuromuscular agent; plant metabolite	low
maysin	disaccharide derivative; flavone C-glycoside; secondary alpha-hydroxy ketone; tetrahydroxyflavone	insecticide; neuroprotective agent; plant metabolite	low
cryptocaryol a	2-pyranones; pentol	plant metabolite	low
gypenoside LXXV	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	plant metabolite	low
chrysopine	amino acid opine; carboxamide; delta-lactone; secondary amino compound; spiroketal; triol	plant metabolite	low
ebc-46	diester; diterpenoid; organic heteropentacyclic compound; phorbol ester	antineoplastic agent; plant metabolite; protein kinase C agonist	low
wilforgine	acetate ester; dihydroagarofuran sesquiterpenoid; furans; macrocyclic lactone; organic heteropentacyclic compound; pyridine alkaloid	plant metabolite	low
dehydrotomatine	alkaloid antibiotic; glycoside; steroid alkaloid; tetrasaccharide derivative	antifungal agent; phytotoxin; plant metabolite	low
biliatresone	aromatic ether; aromatic ketone; benzodioxoles; enone; phenols	plant metabolite; toxin	low
cyclic gmp	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
deoxyinosine	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
deoxyguanosine triphosphate	deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-triphosphate	Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite	low
guanosine diphosphate mannose	GDP-D-mannose	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite	low

Substance	Classes	Roles	Relationship Strength
6-deacetylnimbin	cyclic terpene ketone; diester; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	antifeedant; insect growth regulator; plant metabolite	low
yunaconitine	acetate ester; aromatic ether; benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound	antifeedant; human urinary metabolite; phytotoxin; plant metabolite; xenobiotic	low
4-methylumbelliferyl acetate	acetate ester; coumarins	plant metabolite	low
reserpine	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic	low
vincristine	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	low
gibberellic acid	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite	low
methyl n-methylanthranilate	benzoate ester; methyl ester; secondary amino compound; substituted aniline	animal metabolite; fungal metabolite; plant metabolite	low
propyl acetate	acetate ester	fragrance; plant metabolite	low
octyl acetate	acetate ester	plant metabolite	low
citronellyl acetate	acetate ester; monoterpenoid	plant metabolite	low
2-methylfuran	furans; volatile organic compound	flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite	low
2,5-dimethylfuran	furans	antifungal agent; bacterial metabolite; fuel; fumigant; human urinary metabolite; Maillard reaction product; plant metabolite	low
3-methylfuran	furans; volatile organic compound	Aspergillus metabolite; environmental contaminant; fungal metabolite; Penicillium metabolite; plant metabolite	low
2-ethylfuran	furans; volatile organic compound	bacterial metabolite; fragrance; Maillard reaction product; plant metabolite	low
furaneol	cyclic ketone; enol; furans	flavouring agent; fragrance; plant metabolite	low
tetradecanoylphorbol acetate	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator	low
colforsin	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist	low
baccatin iii	acetate ester; benzoate ester; tetracyclic diterpenoid	plant metabolite	low
tetrahydroalstonine	methyl ester; organic heteropentacyclic compound; yohimban alkaloid	plant metabolite	low
voacamine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; plant metabolite	low
loganin	beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol	anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite	low
deguelin	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite	low
1,9-dideoxyforskolin	acetate ester; labdane diterpenoid; organic heterotricyclic compound	plant metabolite	low
cafestol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite	low
nimbin	acetate ester; cyclic terpene ketone; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	pesticide; plant metabolite	low
kahweol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite	low
1'-acetoxychavicol acetate	acetate ester; phenylpropanoid	antineoplastic agent; NF-kappaB inhibitor; plant metabolite	low
rubimaillin	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite	low
guvacoline	alpha,beta-unsaturated carboxylic ester; beta-amino acid ester; enoate ester; methyl ester; pyridine alkaloid; secondary amino compound; tetrahydropyridine	muscarinic agonist; plant metabolite	low
actinodaphine	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor	low
secologanin	aldehyde; beta-D-glucoside; enoate ester; methyl ester; pyrans; secoiridoid glycoside	plant metabolite	low
columbianetin acetate	acetate ester; furanocoumarin	plant metabolite	low
acetyl aleuritolic acid	acetate ester; monocarboxylic acid; pentacyclic triterpenoid	antineoplastic agent; plant metabolite	low
secoxyloganin	beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside	anti-allergic agent; antioxidant; plant 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
vincaleukoblastine	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite	low
methyl 3,4-dihydroxybenzoate	catechols; methyl ester	antioxidant; neuroprotective agent; plant metabolite	low
glaucarubinone	carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol	antimalarial; antineoplastic agent; geroprotector; plant metabolite	low
picrotin	diol; epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	plant metabolite	low
picrotoxinin	epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	GABA antagonist; plant metabolite; serotonergic antagonist	low
cocaine	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic	low
antofine	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite	low
pedilstatin	acetate ester; phorbol ester; primary allylic alcohol	plant metabolite	low
geranyl acetate	acetate ester; monoterpenoid	plant metabolite	low
7-deacetylgedunin	cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; antimalarial; metabolite; plant metabolite	low
bigelovin	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite	low
oleuropein	beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside	anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger	low
cinnamyl acetate	acetate ester	plant metabolite	low
morphine	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic	low
oridonin	cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol	angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
methyl 2,5-dihydroxycinnamate	cinnamate ester; hydroquinones; methyl ester	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; geroprotector; human urinary metabolite; plant metabolite	low
methyl ferulate	cinnamate ester; guaiacols; methyl ester	plant metabolite	low
resiniferatoxin	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist	low
coronardine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antileishmanial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
akuammicine	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite	low
azadirone	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	antineoplastic agent; antiplasmodial drug; plant metabolite	low
triphosphate	aldehyde; indole alkaloid; organic heteropentacyclic compound	plant metabolite	low
quinine	Aspidosperma alkaloid; epoxide; methyl ester; monoterpenoid indole alkaloid; organic heterohexacyclic compound	plant metabolite	low
gedunin	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite	low
azadiradione	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	anti-inflammatory agent; antimycobacterial drug; plant metabolite	low
ligstroside	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite	low
deoxyaconitine	acetate ester; benzoate ester; bridged compound; diol; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary amino compound	plant metabolite	low
vindolinine	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite	low
euonine	acetate ester; dihydroagarofuran sesquiterpenoid; macrolide; pyridine alkaloid; sesquiterpene alkaloid	immunosuppressive agent; insecticide; plant metabolite	low
picrinine	alkaloid ester; indole alkaloid; methyl ester; organic heteropentacyclic compound; polycyclic ether	analgesic; anti-asthmatic agent; anti-inflammatory agent; antitussive; plant metabolite	low
epoxyazadiradione	acetate ester; cyclic terpene ketone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; insecticide; plant metabolite	low
oleuropein aglycone	catechols; diester; lactol; methyl ester; pyrans; secoiridoid	anti-inflammatory agent; antioxidant; mTOR inhibitor; neuroprotective agent; plant metabolite; TRPA1 channel agonist	low
stemmadenine	Aspidosperma alkaloid; methyl ester; monoterpenoid indole alkaloid; organic heterotetracyclic compound; primary alcohol	plant metabolite	low
ebc-46	diester; diterpenoid; organic heteropentacyclic compound; phorbol ester	antineoplastic agent; plant metabolite; protein kinase C agonist	low
wilforgine	acetate ester; dihydroagarofuran sesquiterpenoid; furans; macrocyclic lactone; organic heteropentacyclic compound; pyridine alkaloid	plant metabolite	low

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	2010's
nimbin	1	acetate ester; cyclic terpene ketone; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	pesticide; plant metabolite	2012	2012	12.0	low	1
azadirone	1	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	antineoplastic agent; antiplasmodial drug; plant metabolite	2016	2016	8.0	medium	1
azadiradione	1	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	anti-inflammatory agent; antimycobacterial drug; plant metabolite	2012	2012	12.0	low	1
azadirachtin b	1			2016	2016	8.0	medium	1
epoxyazadiradione	2	acetate ester; cyclic terpene ketone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; insecticide; plant metabolite	2012	2016	10.0	medium	2

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	1990's	2000's	2010's
rotenone	1	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin	2002	2002	22.0	low	0	1	0
limonene	12	cycloalkene; p-menthadiene	human metabolite	1997	2019	17.0	high	2	7	3
nimbin	7	acetate ester; cyclic terpene ketone; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	pesticide; plant metabolite	1997	2017	19.1	high	2	4	1
azadirachtin	8	acetate ester; azadirachtin; cyclic hemiketal; enoate ester; epoxide; methyl ester; organic heterotetracyclic compound; secondary alcohol; tertiary alcohol	hepatoprotective agent	1997	2017	18.6	high	2	5	1
gedunin	1	limonoid		2003	2003	21.0	low	0	1	0
azadiradione	1	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	anti-inflammatory agent; antimycobacterial drug; plant metabolite	2017	2017	7.0	low	0	0	1
azadirachtin b	2			2006	2009	16.5	high	0	2	0

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

salannin

Description

Cross-References

Synonyms (21)

Roles (3)

Drug Classes (5)

Protein Targets (1)

Inhibition Measurements

Bioassays (2)

Research

Studies (14)

Study Types

Related Drugs (1,445)

Drugs in this Class (462)

Drugs with this Function (1,053)

Drugs in Same Class and Function (70)

Drugs Involved in Assays Together (5)

Drugs Researched Together (7)

Related Conditions (0)