EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:34707 - dihydrogenistein

ChEBI IDCHEBI:34707
ChEBI Namedihydrogenistein
Stars
DefinitionA hydroxyisoflavanone comprising isoflavanone carrying three hydroxy substituents at positions 5, 7 and 4'.
Last Modified28 February 2017
DownloadsMolfile
FormulaC15H12O5
Net Charge0
Average Mass272.256
Monoisotopic Mass272.06847
SMILESO=C1c2c(O)cc(O)cc2OCC1c1ccc(O)cc1
InChIInChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2
InChIKeyUQGVUYNHDKMLSE-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
dihydrogenistein (CHEBI:34707) has role bacterial metabolite (CHEBI:76969)
dihydrogenistein (CHEBI:34707) is a hydroxyisoflavanone (CHEBI:72739)
Incoming Relation(s)
dihydrogenistin (CHEBI:133413) has functional parent dihydrogenistein (CHEBI:34707)
IUPAC Name 
5,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
Synonyms  Source
4',5,7-Trihydroxyisoflavan-4-oneKEGG COMPOUND
4',5,7-trihydroxyisoflavanoneHMDB
2,3-dihydro-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-oneChemIDplus
Manual XrefsDatabases
C14458KEGG COMPOUND
HMDB0005897HMDB
Registry NumbersSources
Reaxys:288824Reaxys
CAS:21554-71-2ChemIDplus
Citations