CHEBI:2716 - anethole

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ChEBI Name anethole
ChEBI ID CHEBI:2716
Definition A monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H12O
Net Charge 0
Average Mass 148.20170
Monoisotopic Mass 148.089
InChI InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3
InChIKey RUVINXPYWBROJD-UHFFFAOYSA-N
SMILES COc1ccc(C=CC)cc1
Roles Classification
Biological Role(s): 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 anethole (CHEBI:2716) has role plant metabolite (CHEBI:76924)
anethole (CHEBI:2716) is a monomethoxybenzene (CHEBI:25235)
Incoming cis-anethole (CHEBI:78412) is a anethole (CHEBI:2716)
trans-anethole (CHEBI:35616) is a anethole (CHEBI:2716)
IUPAC Name
1-methoxy-4-(prop-1-en-1-yl)benzene
Synonyms Sources
methyl 4-(prop-1-en-1-yl)phenyl ether IUPAC
p-propenylanisole ChEBI
Manual Xref Database
LSM-37103 LINCS
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Registry Numbers Types Sources
104-46-1 CAS Registry Number ChemIDplus
774229 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
24689303 PubMed citation Europe PMC
Last Modified
26 February 2016