Compounds > 2-ethylhexanal
Page last updated: 2024-09-22

2-ethylhexanal

Cross-References

ID SourceID
PubMed CID31241
CHEMBL ID1558074
CHEBI ID87809
SCHEMBL ID15760
MeSH IDM0121000

Synonyms (64)

Synonym
2-ethylhexaldehyde
hexanal, 2-ethyl-
3-formylheptane
123-05-7
2-ethylhexylaldehyde
2-ethylcaproaldehyde
wln: vhy4 & 2
nsc-42871
ethylbutylacetaldehyde
2-ethylhexanal ,
nsc42871
ethylhexaldehyde
.alpha.-ethylcaproaldehyde
butylethylacetaldehyde
NCGC00091728-01
brn 1700556
alpha-ethylcaproaldehyde
nsc 42871
ai3-26805
beta-propyl-alpha-ethylacrolein
hsdb 5142
ccris 4643
einecs 204-596-5
butyl ethyl acetaldehyde
2-ethylhexanal, 96%
2-ethylhexyl aldehyde
E0125
STK801684
AKOS005607756
NCGC00091728-02
ec 204-596-5
4-01-00-03345 (beilstein handbook reference)
sen8s34o6u ,
unii-sen8s34o6u
tox21_303326
NCGC00256965-01
dtxcid005291
dtxsid9025291 ,
cas-123-05-7
tox21_202095
NCGC00259644-01
BBL010642
2-ethyl-hexanal
FT-0612272
.alpha.-ethylhexanal
2-ethylhexylaldehyde [hsdb]
2-ethylhexanal, (+/-)-
caproaldehyde, .alpha.-ethyl-
.beta.-propyl-.alpha.-ethylacrolein
SCHEMBL15760
2-ethylhexan-1-al
CHEMBL1558074
chebi:87809 ,
2-ethyl hexanal
2-eh
ethylhexanal
J-660018
alpha-ethylhexanal
2-ethylhexanal, analytical standard
mfcd00006987
VS-02601
Q209379
2-ethylcapronaldehyde
EN300-321440

Roles (2)

RoleDescription
fungal metaboliteAny eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
bacterial xenobiotic metaboliteAny bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (1)

ClassDescription
saturated fatty aldehydeA fatty aldehyde in which there is no carbon-carbon unsaturation.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (6)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
thyroid stimulating hormone receptorHomo sapiens (human)Potency0.03160.001318.074339.8107AID926; AID938
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency19.52790.003041.611522,387.1992AID1159552
estrogen-related nuclear receptor alphaHomo sapiens (human)Potency30.94970.001530.607315,848.9004AID1224841
vitamin D (1,25- dihydroxyvitamin D3) receptorHomo sapiens (human)Potency5.79250.023723.228263.5986AID743223
aryl hydrocarbon receptorHomo sapiens (human)Potency77.74210.000723.06741,258.9301AID743085
survival motor neuron protein isoform dHomo sapiens (human)Potency12.58930.125912.234435.4813AID1458
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (9)

TimeframeStudies, This Drug (%)All Drugs %
pre-19902 (22.22)18.7374
1990's0 (0.00)18.2507
2000's3 (33.33)29.6817
2010's2 (22.22)24.3611
2020's2 (22.22)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other9 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
1-anilino-8-naphthalenesulfonate[no description available]medium10aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe
phthalic acid[no description available]medium10benzenedicarboxylic acidhuman xenobiotic metabolite
oleic acid[no description available]medium10octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
2-ethylhexanol[no description available]medium50primary alcoholplant metabolite;
volatile oil component
2-ethylhexanoic acid[no description available]medium40branched-chain fatty acid
adipic acid[no description available]medium10alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		food acidity regulator;
human xenobiotic metabolite
1-hexanol[no description available]medium60hexanol;
primary alcohol		alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite
diethylhexyl phthalate[no description available]medium30diester;
phthalate ester		androstane receptor agonist;
apoptosis inhibitor;
plasticiser
mono-(2-ethylhexyl)phthalate[no description available]medium10phthalic acid monoester
dioctyl adipate[no description available]medium10carboxylic ester
ochracin[no description available]medium10isochromanes
isocoumarins[no description available]medium10isocoumarins
phenyl acetate[no description available]medium10benzenes;
phenyl acetates
2-hexenal, z-isomer[no description available]medium102-hexenalantibacterial agent;
flavouring agent;
plant metabolite
carbonates[no description available]medium10carbon oxoanion
4-hydroxyphenylacetic acid[no description available]low00monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite
indoleacetamide[no description available]low00indoles;
monocarboxylic acid amide;
N-acylammonia		bacterial metabolite;
fungal metabolite;
plant metabolite
gamma-guanidinobutyric acid[no description available]low00guanidines;
monocarboxylic acid;
zwitterion		fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
itaconic acid[no description available]low00dicarboxylic acid;
dicarboxylic fatty acid;
olefinic compound		fungal metabolite;
human metabolite
theophylline[no description available]low00dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
caffeine[no description available]low00purine 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
2,5-dihydroxybenzoic acid[no description available]low00dihydroxybenzoic acidEC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite
muscimol[no description available]low00alkaloid;
isoxazoles;
primary amino compound		fungal metabolite;
GABA agonist;
oneirogen;
psychotropic drug
psilocin[no description available]low00hydroxyindoles;
phenols;
tertiary amino compound;
tryptamine alkaloid		drug metabolite;
fungal metabolite;
hallucinogen;
human xenobiotic metabolite;
serotonergic agonist
urethane[no description available]low00carbamate esterfungal metabolite;
mutagen
methyl n-methylanthranilate[no description available]low00benzoate ester;
methyl ester;
secondary amino compound;
substituted aniline		animal metabolite;
fungal metabolite;
plant metabolite
veratryl alcohol[no description available]low00benzyl alcohols;
dimethoxybenzene;
primary alcohol		fungal metabolite
4-hydroxyacetophenone[no description available]low00monohydroxyacetophenonefungal metabolite;
mouse metabolite;
plant metabolite
acrylonitrile[no description available]low00aliphatic nitrile;
volatile organic compound		antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent
4-hydroxyphenylethanol[no description available]low00phenolsanti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent
psilocybin[no description available]low00organic phosphate;
tertiary amino compound;
tryptamine alkaloid		fungal metabolite;
hallucinogen;
prodrug;
serotonergic agonist
nonadecanoic acid[no description available]low00long-chain fatty acid;
straight-chain saturated fatty acid		fungal metabolite
3-methylfuran[no description available]low00furans;
volatile organic compound		Aspergillus metabolite;
environmental contaminant;
fungal metabolite;
Penicillium metabolite;
plant metabolite
gamma-dodecalactone[no description available]low00gamma-lactonebacterial metabolite;
fungal metabolite;
volatile oil component
1-octen-3-ol[no description available]low00alkenyl alcohol;
medium-chain fatty alcohol		antimicrobial agent;
fungal metabolite;
insect attractant;
volatile oil component
norsolorinic acid[no description available]low00polyketide;
tetrahydroxyanthraquinone		fungal metabolite
mevastatin[no description available]low002-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite
norharman[no description available]low00beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite
cephalosporin c[no description available]low00cephalosporinfungal metabolite
sulfur[no description available]low00elemental sulfur;
homomonocyclic compound		bacterial metabolite;
fungal metabolite
orsellinic acid[no description available]low00dihydroxybenzoic acid;
resorcinols		fungal metabolite;
marine metabolite;
metabolite
nebularine[no description available]low00purine ribonucleoside;
purines D-ribonucleoside		fungal metabolite
1,8-dihydroxynaphthalene[no description available]low00naphthalenediolfungal metabolite
siccanin[no description available]low00organic heteropentacyclic compoundantifungal drug;
fungal metabolite
rubrofusarin[no description available]low00aromatic ether;
benzochromenone;
phenols;
polyketide		biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite
5-hydroxybenzofuran-2-one[no description available]low001-benzofurans;
aromatic alcohol		antifungal agent;
fungal metabolite
5-hydroxymethyl-2-furoic acid[no description available]low00aromatic primary alcohol;
furoic acid		bacterial xenobiotic metabolite;
fungal metabolite;
human urinary metabolite;
nematicide
fibrinogen[no description available]low00iditolfungal metabolite
3-hydroxybutyric acid[no description available]low003-hydroxybutyric acid;
ketone body		fungal metabolite;
human metabolite;
pheromone
orotidine[no description available]low00nucleoside;
pyrimidinemonocarboxylic acid;
uridines		bacterial metabolite;
fungal metabolite;
plant metabolite
atromentin[no description available]low00dihydroxy-1,4-benzoquinones;
polyphenol		antibacterial agent;
anticoagulant;
antineoplastic agent;
apoptosis inducer;
biological pigment;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
fungal metabolite
2'-o-methyladenosine[no description available]low00adenosines;
ether		fungal metabolite
ergosine[no description available]low00ergot alkaloidfungal metabolite
acromelic acid a[no description available]low00pyridone;
pyrrolidinecarboxylic acid;
tricarboxylic acid		fungal metabolite;
neurotoxin;
NMDA receptor agonist
trapoxin a[no description available]low00epoxide;
homodetic cyclic peptide;
ketone		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
fungal metabolite
deoxyfuconojirimycin[no description available]low00hydroxypiperidine;
triol		fungal metabolite
emodin anthrone[no description available]low00anthracenone;
phenols		fungal metabolite
saintopin[no description available]low00tetracenequinonesantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
fungal metabolite;
intercalator
cercosporamide[no description available]low00dibenzofurans;
methyl ketone;
monocarboxylic acid amide;
polyphenol		antifungal agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite;
phytotoxin
baeocystin[no description available]low00organic phosphate;
secondary amino compound;
tryptamine alkaloid		fungal metabolite;
hallucinogen
albicanol[no description available]low00carbobicyclic compound;
homoallylic alcohol;
primary alcohol;
sesquiterpenoid		antifeedant;
antifungal agent;
antineoplastic agent;
fungal metabolite;
mammalian metabolite;
marine metabolite;
plant metabolite
ml 236a[no description available]low002-pyranones;
carbobicyclic compound;
hexahydronaphthalenes;
polyketide;
secondary alcohol		antiatherosclerotic agent;
anticholesteremic drug;
antilipemic drug;
antimicrobial agent;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
fungal metabolite
2,5-dihydroxybenzyl alcohol[no description available]low00aromatic primary alcohol;
phenols		antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite
3-octanone[no description available]low00dialkyl ketoneantifeedant;
biomarker;
fungal metabolite;
human urinary metabolite;
insect attractant;
plant metabolite;
toxin
lenticin[no description available]low00amino-acid betaine;
indole alkaloid;
L-tryptophan derivative		fungal metabolite;
plant metabolite;
xenobiotic
ergonovine[no description available]low00ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		diagnostic agent;
fungal metabolite;
oxytocic;
toxin
ergosterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		fungal metabolite;
Saccharomyces cerevisiae metabolite
eicosapentaenoic acid[no description available]low00icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
aphidicolin[no description available]low00tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite
sordaricin[no description available]low003-oxo monocarboxylic acid;
aldehyde;
bridged compound;
primary alcohol;
tetracyclic diterpenoid		antifungal agent;
fungal metabolite
methyl cinnamate[no description available]low00methyl cinnamateantibacterial agent;
fungal metabolite;
nematicide;
plant metabolite
averufin[no description available]low00cyclic ketal;
organic heteropentacyclic compound;
polyketide;
polyphenol		fungal metabolite
rhodotorulic acid[no description available]low002,5-diketopiperazines;
hydroxamic acid;
L-ornithine derivative		fungal metabolite;
siderophore
helvolic acid[no description available]low003-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid		antibacterial agent;
fungal metabolite;
mycotoxin
beauvericin[no description available]low00cyclodepsipeptideantibiotic insecticide;
antifungal agent;
antineoplastic agent;
apoptosis inhibitor;
fungal metabolite;
ionophore;
mycotoxin;
P450 inhibitor
8,11,14-eicosatrienoic acid[no description available]low00fatty acid 20:3;
long-chain fatty acid		fungal metabolite;
human metabolite;
nutraceutical
canthaxanthin[no description available]low00carotenonebiological pigment;
Escherichia coli metabolite;
food colouring;
fungal metabolite
zearalenone[no description available]low00macrolide;
resorcinols		fungal metabolite;
mycoestrogen
norlichexanthone[no description available]low00polyphenol;
xanthones		antimalarial;
fungal metabolite
orobol[no description available]low007-hydroxyisoflavonesanti-inflammatory agent;
fungal metabolite;
plant metabolite;
radical scavenger
ellagic acid[no description available]low00catechols;
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
t-2 toxin[no description available]low00acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
cardiotoxic agent;
DNA synthesis inhibitor;
environmental contaminant;
fungal metabolite;
mycotoxin;
neurotoxin
glycitein[no description available]low007-hydroxyisoflavone;
methoxyisoflavone		fungal metabolite;
phytoestrogen;
plant metabolite
ergothioneine[no description available]low001,3-dihydroimidazole-2-thiones;
amino-acid betaine;
L-histidine derivative;
sulfur-containing amino acid		antioxidant;
chelator;
fungal metabolite;
plant metabolite;
xenobiotic metabolite
alternariol monomethyl ether[no description available]low00aromatic ether;
benzochromenone		antifungal agent;
fungal metabolite;
mycotoxin
iditol[no description available]low00iditolfungal metabolite;
human metabolite
poricoic acid a[no description available]low00dicarboxylic acid;
secondary alcohol;
tricyclic triterpenoid		fungal metabolite
poricoic acid g[no description available]low00dicarboxylic acid;
secondary alcohol;
tricyclic triterpenoid		fungal metabolite
mevalonolactone[no description available]low004-hydroxy-4-methyloxan-2-onefungal metabolite;
plant metabolite
ascofuranone[no description available]low00dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid;
tetrahydrofuranone		angiogenesis inhibitor;
antilipemic drug;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite
mucidin[no description available]low00enoate ester;
enol ether		antifungal agent;
fungal metabolite
squalestatin 1[no description available]low00acetate ester;
cyclic ketal;
oxabicycloalkane;
polyketide;
tertiary alcohol;
tricarboxylic acid		EC 2.5.1.21 (squalene synthase) inhibitor;
fungal metabolite
thermozymocidin[no description available]low00alpha-amino fatty acid;
hydroxy monocarboxylic acid;
non-proteinogenic alpha-amino acid;
sphingoid		antifungal agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor;
fungal metabolite;
immunosuppressive agent
acuminatin[no description available]low001-benzofurans;
dimethoxybenzene;
neolignan;
olefinic compound;
ring assembly		fungal metabolite;
plant metabolite
strobilurin b[no description available]low00enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
monochlorobenzenes;
monomethoxybenzene		antifungal agent;
fungal metabolite;
mitochondrial cytochrome-bc1 complex inhibitor
ergosta-4,6,8(14),22-tetraen-3-one[no description available]low003-oxo-Delta(4) steroid;
ergostanoid		fungal metabolite
fumagillin[no description available]low00antibiotic antifungal drug;
carboxylic ester;
dicarboxylic acid monoester;
meroterpenoid;
organooxygen heterocyclic antibiotic;
spiro-epoxide		angiogenesis inhibitor;
antibacterial drug;
antimicrobial agent;
antiprotozoal drug;
fungal metabolite;
methionine aminopeptidase 2 inhibitor
altenusin[no description available]low00aromatic ether;
carboxybiphenyl;
catechols;
hydroxybiphenyls;
polyphenol		antifungal agent;
fungal metabolite
ebericol[no description available]low0014alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid		fungal metabolite
tmc-95a[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor
monacolin j[no description available]low002-pyranones;
carbobicyclic compound;
hexahydronaphthalenes;
polyketide;
secondary alcohol		antimicrobial agent;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
fungal metabolite
trachyspic acid[no description available]low00oxaspiro compound;
tricarboxylic acid		EC 3.2.1.166 (heparanase) inhibitor;
fungal metabolite
yw 3548[no description available]low00olefinic compound;
terpene lactone;
tertiary alcohol		fungal metabolite;
glycerophosphoinositol synthesis inhibitor
hypothemycin[no description available]low00aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone		antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite
HT-2 toxin[no description available]low00acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
fungal metabolite
tmc-95b[no description available]low00indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor
sporothriolide[no description available]low00furofuran;
gamma-lactone		antifungal agent;
fungal metabolite
ascochlorin[no description available]low00cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid		angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite
zaragozic acid c[no description available]low00acetate ester;
cyclic ketal;
oxabicycloalkane;
polyketide;
tertiary alcohol;
tricarboxylic acid		EC 2.5.1.21 (squalene synthase) inhibitor;
fungal metabolite
monascin[no description available]low00alpha,beta-unsaturated ketone;
gamma-lactone;
organic heterotricyclic compound;
polyketide		antilipemic drug;
antineoplastic agent;
fungal metabolite;
PPARgamma agonist
monascorubrin[no description available]low00azaphilone;
enone;
gamma-lactone;
polyketide;
triketone		anti-inflammatory agent;
antineoplastic agent;
biological pigment;
food colouring;
fungal metabolite;
Hsp90 inhibitor
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one[no description available]low00alkaloid;
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
ganodermadiol[no description available]low003beta-sterol;
primary allylic alcohol;
tetracyclic triterpenoid		antiviral agent;
fungal metabolite;
hepatoprotective agent
(3E,9E)-5,6-Dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione[no description available]low00cytochalasinfungal metabolite
prosomatostatin[no description available]low00heterodetic cyclic peptide;
peptide hormone		fungal metabolite;
mouse metabolite;
rat metabolite
depudecin[no description available]low00polyketideEC 3.5.1.98 (histone deacetylase) inhibitor;
fungal metabolite
diorcinol[no description available]low00aromatic ether;
phenols		fungal metabolite;
marine metabolite;
metabolite
antroquinonol d[no description available]low00enol ether;
enone;
secondary alcohol		antineoplastic agent;
fungal metabolite
equisetin[no description available]low00enol;
octahydronaphthalenes;
primary alcohol;
tetramic acids		antibacterial agent;
fungal metabolite;
HIV-1 integrase inhibitor;
quorum sensing inhibitor
hispidin[no description available]low002-pyranones;
catechols		antioxidant;
EC 2.7.11.13 (protein kinase C) inhibitor;
fungal metabolite
asperfuranone[no description available]low002-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
fungal metabolite
bassianolide[no description available]low00cyclodepsipeptide;
cyclooctadepsipeptide		antineoplastic agent;
fungal metabolite;
insecticide
2,5-dichlorohydroquinone[no description available]low00dichlorohydroquinonebacterial xenobiotic metabolite
3-oxoadipic acid[no description available]low00dicarboxylic fatty acid;
oxo dicarboxylic acid		bacterial xenobiotic metabolite;
human metabolite
3-methylcatechol[no description available]low00methylcatecholbacterial xenobiotic metabolite
1,2-dihydroxy-1,2-dihydronaphthalene[no description available]low00dihydronaphthalenes;
naphthalenediols		bacterial xenobiotic metabolite;
mouse metabolite
hydroxylamine[no description available]low00hydroxylaminesalgal metabolite;
bacterial xenobiotic metabolite;
EC 1.1.3.13 (alcohol oxidase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
nitric oxide donor;
nucleophilic reagent
melilotic acid[no description available]low00monocarboxylic acid;
phenols		bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite
dimethyl sulfide[no description available]low00aliphatic sulfidealgal metabolite;
bacterial xenobiotic metabolite;
EC 3.5.1.4 (amidase) inhibitor;
Escherichia coli metabolite;
marine metabolite
2,4-dinitrophenol[no description available]low00dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
benzylsuccinic acid[no description available]low00dicarboxylic acidbacterial xenobiotic metabolite
2,6-dichlorobenzoic acid[no description available]low00chlorobenzoic acid;
dichlorobenzene		bacterial xenobiotic metabolite
carbostyril[no description available]low00monohydroxyquinoline;
quinolone		bacterial xenobiotic metabolite
4-chlorobenzoic acid[no description available]low00monochlorobenzoic acidbacterial xenobiotic metabolite
3-methylsalicylic acid[no description available]low00monohydroxybenzoic acidbacterial xenobiotic metabolite
1-hydroxy-2-naphthoic acid[no description available]low00hydroxy monocarboxylic acid;
naphthoic acid;
naphthols		bacterial xenobiotic metabolite;
fungal xenobiotic metabolite
1-naphthoic acid[no description available]low00naphthoic acidbacterial xenobiotic metabolite;
fungal xenobiotic metabolite
2-furoic acid[no description available]low00furoic acidbacterial xenobiotic metabolite;
human xenobiotic metabolite;
inhibitor;
plant metabolite;
Saccharomyces cerevisiae metabolite
benzohydrol[no description available]low00benzyl alcohols;
secondary alcohol		bacterial xenobiotic metabolite;
human urinary metabolite;
human xenobiotic metabolite;
rat metabolite
4-nitroaniline[no description available]low00nitroanilinebacterial xenobiotic metabolite
12-hydroxy stearic acid[no description available]low00hydroxyoctadecanoic acid;
secondary alcohol		bacterial xenobiotic metabolite;
plant metabolite
4-fluorobenzoic acid[no description available]low00fluorobenzoic acidbacterial xenobiotic metabolite
dimethylselenide[no description available]low00organoselenium compoundbacterial xenobiotic metabolite;
plant metabolite
6-deisopropylatrazine[no description available]low00chloro-1,3,5-triazine;
diamino-1,3,5-triazine		bacterial xenobiotic metabolite;
marine xenobiotic metabolite
6-hydroxyhexanoic acid[no description available]low006-hydroxy monocarboxylic acid;
omega-hydroxy-medium-chain fatty acid;
straight-chain fatty acid		bacterial xenobiotic metabolite
4-chlorocatechol[no description available]low00chlorocatechol;
monochlorobenzenes		bacterial xenobiotic metabolite
1,3,4-butanetriol[no description available]low00triolbacterial xenobiotic metabolite;
Escherichia coli metabolite
3-phenylbutyric acid[no description available]low00benzenes;
monocarboxylic acid		antibacterial agent;
bacterial xenobiotic metabolite
edda[no description available]low00amino dicarboxylic acid;
ethylenediamine derivative;
glycine derivative;
polyamino carboxylic acid		bacterial xenobiotic metabolite;
chelator
2-pinene oxide[no description available]low00epoxide;
pinane monoterpenoid		bacterial xenobiotic metabolite;
fragrance;
human metabolite
s-chloromethylglutathione[no description available]low00organochlorine compound;
S-substituted glutathione		alkylating agent;
bacterial xenobiotic metabolite;
mouse metabolite
11-hydroxytestosterone[no description available]low0011beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid		bacterial xenobiotic metabolite;
human xenobiotic metabolite;
marine metabolite
duroquinol[no description available]low00hydroquinones;
methylbenzene		bacterial xenobiotic metabolite;
volatile oil component
hydromethylthionine[no description available]low00aromatic amine;
phenothiazines;
tertiary amino compound		bacterial xenobiotic metabolite;
fluorochrome;
mouse metabolite;
rat metabolite
n-methylglutamate[no description available]low00methyl-L-glutamic acid;
N-methyl-L-alpha-amino acid		bacterial xenobiotic metabolite
maleamic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
dicarboxylic acid monoamide		bacterial xenobiotic metabolite;
Escherichia coli metabolite
maleoylacetic acid[no description available]low004-oxohex-2-enedioic acidbacterial xenobiotic metabolite
9,11-linoleic acid[no description available]low00octadeca-9,11-dienoic acidanti-inflammatory agent;
antiatherogenic agent;
antineoplastic agent;
apoptosis inducer;
bacterial xenobiotic metabolite;
human metabolite
cellodextrin[no description available]low00glucotriosebacterial xenobiotic metabolite
oripavine[no description available]low00ether;
morphinane alkaloid;
organic heteropentacyclic compound;
organic hydroxy compound;
tertiary amino compound		bacterial xenobiotic metabolite;
opioid analgesic
10-hydroxystearic acid[no description available]low00hydroxy fatty acid;
long-chain fatty acid		bacterial xenobiotic metabolite
5-chloromuconolactone[no description available]low005-oxo-2-furylacetic acid;
chlorocarboxylic acid		bacterial xenobiotic metabolite
caprylic aldehyde[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		plant metabolite
n-hexanal[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		human urinary metabolite
pentanal[no description available]low00saturated fatty aldehydeplant metabolite
heptanal[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		biomarker
decanaldehyde[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		antifungal agent;
fragrance;
plant metabolite
undecanal[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		antimycobacterial drug;
plant metabolite;
volatile oil component
nonanal[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		human metabolite;
plant metabolite
pristanal[no description available]low002-methyl-branched fatty aldehyde;
saturated fatty aldehyde		human metabolite
ConditionIndicatedRelationship StrengthStudiesTrials
Interstitial Cell Tumor0low10
Leydig Cell Tumor0low10