EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70662 - (2S)-7-hydroxy-5-methoxy-8-methylflavanone

ChEBI IDCHEBI:70662
ChEBI Name(2S)-7-hydroxy-5-methoxy-8-methylflavanone
Stars
ASCII Name(2S)-7-hydroxy-5-methoxy-8-methylflavanone
DefinitionA monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 7, a methoxy group at position 5 and a methyl group at position 8. It has been isolated from the buds of Cleistocalyx operculatus.
Last Modified1 October 2014
DownloadsMolfile
FormulaC17H16O4
Net Charge0
Average Mass284.311
Monoisotopic Mass284.10486
SMILESCOc1cc(O)c(C)c2c1C(=O)C[C@@H](c1ccccc1)O2
InChIInChI=1S/C17H16O4/c1-10-12(18)8-15(20-2)16-13(19)9-14(21-17(10)16)11-6-4-3-5-7-11/h3-8,14,18H,9H2,1-2H3/t14-/m0/s1
InChIKeyVQRIOVIKJMGUNI-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)-7-hydroxy-5-methoxy-8-methylflavanone (CHEBI:70662) has functional parent (2S)-flavanone (CHEBI:15606)
(2S)-7-hydroxy-5-methoxy-8-methylflavanone (CHEBI:70662) has role plant metabolite (CHEBI:76924)
(2S)-7-hydroxy-5-methoxy-8-methylflavanone (CHEBI:70662) is a monohydroxyflavanone (CHEBI:38748)
(2S)-7-hydroxy-5-methoxy-8-methylflavanone (CHEBI:70662) is a monomethoxyflavanone (CHEBI:38738)
IUPAC Name 
(2S)-7-hydroxy-5-methoxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one
Registry NumbersSources
Reaxys:21040399Reaxys
Citations