CHEBI:59078 - 5-methylisoeugenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-methylisoeugenol
ChEBI ID CHEBI:59078
Definition An isoeugenol derivative carrying a 5-methyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H14O2
Net Charge 0
Average Mass 178.22770
Monoisotopic Mass 178.09938
InChI InChI=1S/C11H14O2/c1-4-5-9-7-11(13-3)10(12)6-8(9)2/h4-7,12H,1-3H3
InChIKey ROPDJRAWLOUVFU-UHFFFAOYSA-N
SMILES COc1cc(C=CC)c(C)cc1O
ChEBI Ontology
Outgoing 5-methylisoeugenol (CHEBI:59078) has functional parent isoeugenol (CHEBI:18224)
5-methylisoeugenol (CHEBI:59078) is a phenylpropanoid (CHEBI:26004)
IUPAC Name
2-methoxy-5-methyl-4-(1-prop-1-en-1-yl)phenol
Registry Number Type Source
25496322 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
9084914 PubMed citation Europe PMC
Last Modified
14 April 2016