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CHEBI:969 - 2-(2-(4-methoxyphenyl)ethyl)chromone

ChEBI IDCHEBI:969
ChEBI Name2-(2-(4-methoxyphenyl)ethyl)chromone
Stars
DefinitionA member of the class of chromones that is chromone which is substituted by a 2-(4-methoxyphenyl)ethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood from trees of the genus Aquilaria.
Last Modified12 February 2020
DownloadsMolfile
FormulaC18H16O3
Net Charge0
Average Mass280.323
Monoisotopic Mass280.10994
SMILESCOc1ccc(CCc2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H16O3/c1-20-14-9-6-13(7-10-14)8-11-15-12-17(19)16-4-2-3-5-18(16)21-15/h2-7,9-10,12H,8,11H2,1H3
InChIKeyZQBJPQZBIGVILA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aquilaria sinensis (ncbitaxon:210372) wood (BTO:0005516) PubMed (27223280) Found in agarwood.
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)
2-(2-(4-methoxyphenyl)ethyl)chromone (CHEBI:969) has functional parent chromone (CHEBI:72013)
2-(2-(4-methoxyphenyl)ethyl)chromone (CHEBI:969) has role plant metabolite (CHEBI:76924)
2-(2-(4-methoxyphenyl)ethyl)chromone (CHEBI:969) is a chromones (CHEBI:23238)
2-(2-(4-methoxyphenyl)ethyl)chromone (CHEBI:969) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name 
2-[2-(4-methoxyphenyl)ethyl]-4H-chromen-4-one
Synonyms  Source
2-(4-methoxyphenethyl)chromoneKEGG COMPOUND
2-[2-(4-methoxyphenyl)ethyl]-4H-1-benzopyran-4-oneIUPAC
2-[2-(4-methoxyphenyl)ethyl]chromen-4-oneChEBI
Manual XrefsDatabases
C08485KEGG COMPOUND
C00002435KNApSAcK
Registry NumbersSources
CAS:92911-82-5ChemIDplus
CAS:92911-82-5NIST Chemistry WebBook
Citations