EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69476 - 3',4'-dihydroxyisoflavone

ChEBI IDCHEBI:69476
ChEBI Name3',4'-dihydroxyisoflavone
Stars
DefinitionA hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 3' and 4'. It has been isolated from Penicillium purpurogenum.
Last Modified13 January 2014
DownloadsMolfile
FormulaC15H10O4
Net Charge0
Average Mass254.241
Monoisotopic Mass254.05791
SMILESO=c1c(-c2ccc(O)c(O)c2)coc2ccccc12
InChIInChI=1S/C15H10O4/c16-12-6-5-9(7-13(12)17)11-8-19-14-4-2-1-3-10(14)15(11)18/h1-8,16-17H
InChIKeyJGEXBQSHBMXCHX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium purpurogenum (ncbitaxon:28575) mycelium (BTO:0001436) PubMed (21879714) Ethylacetate extract of fermentation broth and acetone extract of mycelia Strain: JS03 21
Roles Classification
Biological Role:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
3',4'-dihydroxyisoflavone (CHEBI:69476) has functional parent isoflavone (CHEBI:18220)
3',4'-dihydroxyisoflavone (CHEBI:69476) has role Penicillium metabolite (CHEBI:76964)
3',4'-dihydroxyisoflavone (CHEBI:69476) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name 
3-(3,4-dihydroxyphenyl)-4H-chromen-4-one
Registry NumbersSources
Reaxys:23198571Reaxys
Citations