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CHEBI:67377 - 6,8-dimethylisogenistein

Default Structure
ChEBI IDCHEBI:67377
ChEBI Name6,8-dimethylisogenistein
Stars
DefinitionA member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 2' and methyl group at positions 6 and 8. It has been isolated from Pisonia aculeata.
Last Modified20 November 2013
DownloadsMolfile
FormulaC17H14O5
Net Charge0
Average Mass298.294
Monoisotopic Mass298.08412
SMILESCc1c(O)c(C)c2occ(-c3ccccc3O)c(=O)c2c1O
InChIInChI=1S/C17H14O5/c1-8-14(19)9(2)17-13(15(8)20)16(21)11(7-22-17)10-5-3-4-6-12(10)18/h3-7,18-20H,1-2H3
InChIKeyVYFQDBFEAYEXCL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pisonia aculeata (ncbitaxon:363212)
stem (BTO:0001300) PubMed (21542597) Cold methanolic extract of dried stems and roots
root (BTO:0001188) PubMed (21542597) Cold methanolic extract of dried stems and roots
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)
6,8-dimethylisogenistein (CHEBI:67377) has role metabolite (CHEBI:25212)
6,8-dimethylisogenistein (CHEBI:67377) has role plant metabolite (CHEBI:76924)
6,8-dimethylisogenistein (CHEBI:67377) is a 2'-hydroxyisoflavones (CHEBI:28206)
6,8-dimethylisogenistein (CHEBI:67377) is a 7-hydroxyisoflavones (CHEBI:55465)
IUPAC Name 
5,7-dihydroxy-3-(2-hydroxyphenyl)-6,8-dimethyl-4H-chromen-4-one
Synonym  Source
5,7,2'-trihydroxy-6,8-dimethylisoflavoneChEBI
Registry NumbersSources
Reaxys:22255185Reaxys
Citations