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CHEBI:5092 - 2-(2-phenylethyl)chromone

ChEBI IDCHEBI:5092
ChEBI Name2-(2-phenylethyl)chromone
Stars
DefinitionA member of the class of chromones that is chromone which is substituted by a 2-phenylethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood obtained from certain trees in the genus Aquilaria.
Last Modified12 February 2020
DownloadsMolfile
FormulaC17H14O2
Net Charge0
Average Mass250.297
Monoisotopic Mass250.09938
SMILESO=c1cc(CCc2ccccc2)oc2ccccc12
InChIInChI=1S/C17H14O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,12H,10-11H2
InChIKeyVNZNWFQJBFLELF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aquilaria sinensis (ncbitaxon:210372) - PubMed (2618717)
Imperata cylindrica (ncbitaxon:80369) rhizome (BTO:0001181) PubMed (16499335)
Aquilaria malaccensis (ncbitaxon:223753) cell suspension culture (BTO:0000221) DOI (/10.1007/s11240-017-1372-7)
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-phenylethyl)chromone (CHEBI:5092) has functional parent chromone (CHEBI:72013)
2-(2-phenylethyl)chromone (CHEBI:5092) has role plant metabolite (CHEBI:76924)
2-(2-phenylethyl)chromone (CHEBI:5092) is a benzenes (CHEBI:22712)
2-(2-phenylethyl)chromone (CHEBI:5092) is a chromones (CHEBI:23238)
IUPAC Name 
2-(2-phenylethyl)-4H-chromen-4-one
Synonyms  Source
flindersiachromoneKEGG COMPOUND
2-(2-phenylethyl)chromoneKEGG COMPOUND
2-(2-phenylethyl)-4H-1-benzopyran-4-oneIUPAC
2-phenethylchromoneChEBI
2-(2-phenylethyl)chromen-4-oneChEBI
flidersiachromoneNIST Chemistry WebBook
Manual XrefsDatabases
C09007KEGG COMPOUND
C00002428KNApSAcK
Registry NumbersSources
CAS:61828-53-3ChemIDplus
CAS:61828-53-3NIST Chemistry WebBook
Citations