CHEBI:4917 - eugenol

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ChEBI Name eugenol
ChEBI ID CHEBI:4917
Definition A phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H12O2
Net Charge 0
Average Mass 164.20110
Monoisotopic Mass 164.084
InChI InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
InChIKey RRAFCDWBNXTKKO-UHFFFAOYSA-N
SMILES COc1cc(CC=C)ccc1O
Metabolite of Species Details
Homo Sapiens (NCBI:9606) Found in blood (UBERON:0000178). See: PubMed
Homo Sapiens (NCBI:9606) Found in saliva (UBERON:0001836). See: PubMed
Roles Classification
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
allergen
A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing eugenol (CHEBI:4917) has functional parent guaiacol (CHEBI:28591)
eugenol (CHEBI:4917) has role allergen (CHEBI:50904)
eugenol (CHEBI:4917) has role human blood serum metabolite (CHEBI:85234)
eugenol (CHEBI:4917) has role plant metabolite (CHEBI:76924)
eugenol (CHEBI:4917) is a monomethoxybenzene (CHEBI:25235)
eugenol (CHEBI:4917) is a phenols (CHEBI:33853)
eugenol (CHEBI:4917) is a phenylpropanoid (CHEBI:26004)
Incoming 1'-acetoxyeugenol acetate (CHEBI:470) has functional parent eugenol (CHEBI:4917)
3,5,6-trimethyleugenol (CHEBI:59096) has functional parent eugenol (CHEBI:4917)
3-methyleugenol (CHEBI:59074) has functional parent eugenol (CHEBI:4917)
5-methyleugenol (CHEBI:59072) has functional parent eugenol (CHEBI:4917)
6-methyleugenol (CHEBI:59060) has functional parent eugenol (CHEBI:4917)
O-methyleugenol (CHEBI:4918) has functional parent eugenol (CHEBI:4917)
eugenol sulfate (CHEBI:133570) has functional parent eugenol (CHEBI:4917)
IUPAC Name
2-methoxy-4-(prop-2-en-1-yl)phenol
Synonyms Sources
1,3,4-Eugenol NIST Chemistry WebBook
1-allyl-3-methoxy-4-hydroxybenzene ChEBI
1-allyl-4-hydroxy-3-methoxybenzene ChEBI
1-Hydroxy-2-methoxy-4-allylbenzene ChemIDplus
1-Hydroxy-2-methoxy-4-prop-2-enylbenzene ChemIDplus
1-Hydroxy-2-methoxy-4-propenylbenzene ChemIDplus
2-Hydroxy-5-allylanisole NIST Chemistry WebBook
2-Methoxy-1-hydroxy-4-allylbenzene ChemIDplus
2-Methoxy-4-(2-propen-1-yl)phenol ChemIDplus
2-méthoxy-4-(2-propèn-1-yl)phénol ChEBI
2-Methoxy-4-(2-propenyl)phenol HMDB
2-Methoxy-4-allylphenol ChemIDplus
2-Methoxy-4-prop-2-enylphenol ChemIDplus
4-Allyl-1-hydroxy-2-methoxybenzene ChemIDplus
4-Allyl-2-methoxyphenol HMDB
4-allyl-2-methoxyphenol IUPAC
4-Allylcatechol-2-methyl ether NIST Chemistry WebBook
4-Allylguaiacol ChemIDplus
4-Hydroxy-3-methoxy-1-allylbenzene ChemIDplus
Allylguaiacol ChemIDplus
Caryophyllic acid ChemIDplus
Eugenic acid ChemIDplus
eugenol UniProt
Eugenol KEGG COMPOUND
p-Allylguaiacol ChemIDplus
p-Eugenol ChemIDplus
Database Links Databases
C00000619 KNApSAcK
C10453 KEGG COMPOUND
CPD-6481 MetaCyc
D04117 KEGG DRUG
Eugenol Wikipedia
HMDB05809 HMDB
LSM-2720 LINCS
View more database links
Registry Numbers Types Sources
1366759 Reaxys Registry Number Reaxys
1366759 Beilstein Registry Number Beilstein
97-53-0 CAS Registry Number KEGG COMPOUND
97-53-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
03 October 2016