CHEBI:78308 - asarone

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ChEBI Name asarone
ChEBI ID CHEBI:78308
Definition A phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H16O3
Net Charge 0
Average Mass 208.25360
Monoisotopic Mass 208.10994
InChI InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3
InChIKey RKFAZBXYICVSKP-UHFFFAOYSA-N
SMILES COc1cc(OC)c(C=CC)cc1OC
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 asarone (CHEBI:78308) has role plant metabolite (CHEBI:76924)
asarone (CHEBI:78308) is a alkenylbenzene (CHEBI:195237)
asarone (CHEBI:78308) is a methoxybenzenes (CHEBI:51683)
asarone (CHEBI:78308) is a phenylpropanoid (CHEBI:26004)
Incoming α-asarone (CHEBI:78309) is a asarone (CHEBI:78308)
β-asarone (CHEBI:10353) is a asarone (CHEBI:78308)
IUPAC Name
1,2,4-trimethoxy-5-(prop-1-en-1-yl)benzene
Synonym Source
2,4,5-trimethoxy-1-propenylbenzene ChEBI
Registry Number Type Source
2210026 Reaxys Registry Number Reaxys
Last Modified
24 May 2023