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

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ChEBI Name	2-(2-(4-methoxyphenyl)ethyl)chromone

ChEBI ID	CHEBI:969

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H16O3

Net Charge

Average Mass

280.323

Monoisotopic Mass

280.10994

InChI

InChI=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

InChIKey

ZQBJPQZBIGVILA-UHFFFAOYSA-N

SMILES

C12=C(OC(CCC3=CC=C(OC)C=C3)=CC1=O)C=CC=C2

Metabolite of Species	Details
Aquilaria sinensis (NCBI:txid210372)	Found in wood (BTO:0005516). Found in agarwood. See: PubMed

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.

ChEBI Ontology
Outgoing	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	Sources
2-(4-methoxyphenethyl)chromone	KEGG COMPOUND
2-[2-(4-methoxyphenyl)ethyl]-4H-1-benzopyran-4-one	IUPAC
2-[2-(4-methoxyphenyl)ethyl]chromen-4-one	ChEBI

Last Modified

12 February 2020