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CHEBI:70657 - (2S)-5-hydroxy-7-methoxy-6,8-dimethylflavanone

ChEBI IDCHEBI:70657
ChEBI Name(2S)-5-hydroxy-7-methoxy-6,8-dimethylflavanone
Stars
ASCII Name(2S)-5-hydroxy-7-methoxy-6,8-dimethylflavanone
DefinitionA monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5, a methoxy group at position 7 and methyl groups at positions 6 and 8. It has been isolated from the buds of Cleistocalyx operculatus.
Last Modified1 October 2014
DownloadsMolfile
FormulaC18H18O4
Net Charge0
Average Mass298.338
Monoisotopic Mass298.12051
SMILESCOc1c(C)c(O)c2c(c1C)O[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C18H18O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-8,14,20H,9H2,1-3H3/t14-/m0/s1
InChIKeyKZNAGLGLKRUIPD-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Cleistocalyx operculatus (IPNI:82151-3) flower bud (BTO:0000470) DOI (10.1021/np1002753) Combined methanolic extract of dried buds
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)
(2S)-5-hydroxy-7-methoxy-6,8-dimethylflavanone (CHEBI:70657) has functional parent (2S)-flavanone (CHEBI:15606)
(2S)-5-hydroxy-7-methoxy-6,8-dimethylflavanone (CHEBI:70657) has role plant metabolite (CHEBI:76924)
(2S)-5-hydroxy-7-methoxy-6,8-dimethylflavanone (CHEBI:70657) is a monohydroxyflavanone (CHEBI:38748)
(2S)-5-hydroxy-7-methoxy-6,8-dimethylflavanone (CHEBI:70657) is a monomethoxyflavanone (CHEBI:38738)
IUPAC Name 
(2S)-5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-2,3-dihydro-4H-chromen-4-one
Registry NumbersSources
Reaxys:90681Reaxys
Citations