EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:70663 - (2S)-8-methylpinocembrin

ChEBI IDCHEBI:70663
ChEBI Name(2S)-8-methylpinocembrin
Stars
ASCII Name(2S)-8-methylpinocembrin
DefinitionA dihydroxyflavanone that is pinocembrin substituted by a methyl group at position 8. It has been isolated from the buds of Cleistocalyx operculatus.
Last Modified9 April 2018
DownloadsMolfile
FormulaC16H14O4
Net Charge0
Average Mass270.284
Monoisotopic Mass270.08921
SMILESCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
InChIKeyQSRIZZQWNHKERT-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)-8-methylpinocembrin (CHEBI:70663) has functional parent pinocembrin (CHEBI:28157)
(2S)-8-methylpinocembrin (CHEBI:70663) has role plant metabolite (CHEBI:76924)
(2S)-8-methylpinocembrin (CHEBI:70663) is a (2S)-flavan-4-one (CHEBI:140377)
(2S)-8-methylpinocembrin (CHEBI:70663) is a dihydroxyflavanone (CHEBI:38749)
IUPAC Name 
(2S)-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-one
Synonyms  Source
(2S)-5,7-dihydroxy-8-methylflavanoneChEBI
(S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyroneChemIDplus
Registry NumbersSources
Reaxys:88409Reaxys
CAS:55743-21-0ChemIDplus
Citations