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CHEBI:31064 - 2'-hydroxybiochanin A

Default Structure
ChEBI IDCHEBI:31064
ChEBI Name2'-hydroxybiochanin A
Stars
DefinitionA methoxyisoflavone in which the methoxy group is located at position 4' together with three additional hydroxy substituents at positions 2' 5 and 7.
Last Modified16 June 2015
DownloadsMolfile
FormulaC16H12O6
Net Charge0
Average Mass300.266
Monoisotopic Mass300.06339
SMILESCOc1ccc(-c2coc3cc(O)cc(O)c3c2=O)c(O)c1
InChIInChI=1S/C16H12O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-7,17-19H,1H3
InChIKeyOZEVXMDBOINMTC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pycnanthus angolensis (ncbitaxon:224864) - PubMed (21495101)
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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)
2'-hydroxybiochanin A (CHEBI:31064) has role apoptosis inducer (CHEBI:68495)
2'-hydroxybiochanin A (CHEBI:31064) has role plant metabolite (CHEBI:76924)
2'-hydroxybiochanin A (CHEBI:31064) is a 2'-hydroxyisoflavones (CHEBI:28206)
2'-hydroxybiochanin A (CHEBI:31064) is a 4'-methoxyisoflavones (CHEBI:133959)
2'-hydroxybiochanin A (CHEBI:31064) is a 7-hydroxyisoflavones (CHEBI:55465)
2'-hydroxybiochanin A (CHEBI:31064) is a methoxyisoflavone (CHEBI:38756)
IUPAC Name 
5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Synonyms  Source
2'-Hydroxybiochanin AKEGG COMPOUND
5,7,2'-Trihydroxy-4'-methoxyisoflavoneKNApSAcK
DehydroferreirinKEGG COMPOUND
Manual XrefsDatabases
C00009457KNApSAcK
C12135KEGG COMPOUND
LMPK12050328LIPID MAPS
Registry NumbersSources
Reaxys:1325822Reaxys
CAS:32884-35-8KNApSAcK
Citations