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CHEBI:16786 - vestitone

ChEBI IDCHEBI:16786
ChEBI Namevestitone
Stars
DefinitionA hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'.
Secondary ChEBI IDsCHEBI:9972, CHEBI:15307, CHEBI:27284
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H14O5
Net Charge0
Average Mass286.283
Monoisotopic Mass286.08412
SMILESCOc1ccc([C@@H]2COc3cc(O)ccc3C2=O)c(O)c1
InChIInChI=1S/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3/t13-/m0/s1
InChIKeyWQCJOKYOIJVEFN-ZDUSSCGKSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
vestitone (CHEBI:16786) has role antibacterial agent (CHEBI:33282)
vestitone (CHEBI:16786) has role metabolite (CHEBI:25212)
vestitone (CHEBI:16786) is a (3R)-2'-hydroxyisoflavanones (CHEBI:140183)
vestitone (CHEBI:16786) is a hydroxyisoflavanone (CHEBI:72739)
vestitone (CHEBI:16786) is a methoxyisoflavanone (CHEBI:72740)
IUPAC Name 
(3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
Synonyms  Source
VestitoneKEGG COMPOUND
2,3-Dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-oneChemIDplus
7,2'-Dihydroxy-4'-methoxyisoflavanoneChEBI
(3R)-vestitolChEBI
VestitoneKEGG COMPOUND
UniProt Name  Source
(3R)-vestitoneUniProt
Manual XrefsDatabases
C00786KEGG COMPOUND
VESTITONEMetaCyc
LMPK12050462LIPID MAPS
HMDB0031620HMDB
C00002584KNApSAcK
Registry NumbersSources
Reaxys:19983204Reaxys
CAS:66211-83-4KEGG COMPOUND
CAS:66211-83-4ChemIDplus
CAS:158112-50-6KEGG COMPOUND
Citations