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CHEBI:8224 - pinoquercetin

Default Structure
ChEBI IDCHEBI:8224
ChEBI Namepinoquercetin
Stars
DefinitionA pentahydroxyflavone that is quercetin substituted by a methyl group at position 6.
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H12O7
Net Charge0
Average Mass316.265
Monoisotopic Mass316.05830
SMILESCc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O
InChIInChI=1S/C16H12O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)7-2-3-8(17)10(19)4-7/h2-5,17-20,22H,1H3
InChIKeyDTFXGVGIKNSCQQ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
pinoquercetin (CHEBI:8224) has functional parent quercetin (CHEBI:16243)
pinoquercetin (CHEBI:8224) has role metabolite (CHEBI:25212)
pinoquercetin (CHEBI:8224) has role plant metabolite (CHEBI:76924)
pinoquercetin (CHEBI:8224) is a 7-hydroxyflavonol (CHEBI:52267)
pinoquercetin (CHEBI:8224) is a pentahydroxyflavone (CHEBI:25883)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-4H-chromen-4-one
Synonym  Source
6-C-MethylquercetinKEGG COMPOUND
Manual XrefsDatabases
C00004895KNApSAcK
C10120KEGG COMPOUND
LMPK12112292LIPID MAPS
Registry NumbersSources
Reaxys:324756Reaxys
CAS:491-49-6KEGG COMPOUND