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CHEBI:78308 - asarone

ChEBI IDCHEBI:78308
ChEBI Nameasarone
Stars
DefinitionA 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.
Last Modified24 May 2023
Submitternamrata
DownloadsMolfile
FormulaC12H16O3
Net Charge0
Average Mass208.257
Monoisotopic Mass208.10994
SMILES[H]C(C)=Cc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3
InChIKeyRKFAZBXYICVSKP-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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-propenylbenzeneChEBI
Registry NumbersSources
Reaxys:2210026Reaxys