CHEBI:16786 - vestitone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name vestitone
ChEBI ID CHEBI:16786
Definition A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9972, CHEBI:15307, CHEBI:27284
Supplier Information
Download Molfile XML SDF
Formula C16H14O5
Net Charge 0
Average Mass 286.27940
Monoisotopic Mass 286.08412
InChI InChI=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
InChIKey WQCJOKYOIJVEFN-ZDUSSCGKSA-N
SMILES COc1ccc([C@@H]2COc3cc(O)ccc3C2=O)c(O)c1
Roles Classification
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(3R)-vestitol ChEBI
(3R)-vestitone UniProt
2,3-Dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one ChemIDplus
7,2'-Dihydroxy-4'-methoxyisoflavanone ChEBI
Vestitone KEGG COMPOUND
Vestitone KEGG COMPOUND
Manual Xrefs Databases
C00002584 KNApSAcK
C00786 KEGG COMPOUND
HMDB0031620 HMDB
LMPK12050462 LIPID MAPS
VESTITONE MetaCyc
View more database links
Registry Numbers Types Sources
158112-50-6 CAS Registry Number KEGG COMPOUND
19983204 Reaxys Registry Number Reaxys
66211-83-4 CAS Registry Number KEGG COMPOUND
66211-83-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20079815 PubMed citation Europe PMC
22117168 PubMed citation Europe PMC
Last Modified
28 July 2014