CHEBI:31080 - 2-hydroxy-2,3-dihydrogenistein

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-hydroxy-2,3-dihydrogenistein
ChEBI ID CHEBI:31080
Definition A hydroxyisoflavanone that is 2,3-dihydrogenistein with a hydroxy substituent at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H12O6
Net Charge 0
Average Mass 288.25220
Monoisotopic Mass 288.06339
InChI InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)12-14(19)13-10(18)5-9(17)6-11(13)21-15(12)20/h1-6,12,15-18,20H
InChIKey UQOJAGBSKPHQOG-UHFFFAOYSA-N
SMILES OC1Oc2cc(O)cc(O)c2C(=O)C1c1ccc(O)cc1
ChEBI Ontology
Outgoing 2-hydroxy-2,3-dihydrogenistein (CHEBI:31080) has functional parent genistein (CHEBI:28088)
2-hydroxy-2,3-dihydrogenistein (CHEBI:31080) is a hydroxyisoflavanone (CHEBI:72739)
2-hydroxy-2,3-dihydrogenistein (CHEBI:31080) is conjugate acid of 2-hydroxy-2,3-dihydrogenistein-7-olate (CHEBI:58636)
Incoming 2-hydroxy-2,3-dihydrogenistein-7-olate (CHEBI:58636) is conjugate base of 2-hydroxy-2,3-dihydrogenistein (CHEBI:31080)
IUPAC Name
2,5,7-trihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
Synonyms Sources
2,5,7,4'-tetrahydroxyisoflavanol ChEBI
2,5,7-trihydroxy-3-(4-hydroxyphenyl)chroman-4-one ChEBI
2-hydroxy-2,3-dihydrogenistein UniProt
Manual Xrefs Databases
C12631 KEGG COMPOUND
CPD-3161 MetaCyc
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Registry Numbers Types Sources
8074688 Reaxys Registry Number Reaxys
8074688 Beilstein Registry Number Beilstein
Last Modified
13 March 2014