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CHEBI:17682 - benzoin

ChEBI IDCHEBI:17682
ChEBI Namebenzoin
Stars
DefinitionA ketone that consists of acetophenone bearing hydroxy and phenyl substituents at the α-position. The parent of the class of benzoins.
Secondary ChEBI IDsCHEBI:3031, CHEBI:13880, CHEBI:22724
Last Modified6 February 2018
DownloadsMolfile
FormulaC14H12O2
Net Charge0
Average Mass212.248
Monoisotopic Mass212.08373
SMILESO=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
InChIKeyISAOCJYIOMOJEB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
EC 3.1.1.1 (carboxylesterase) inhibitor  Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of carboxylesterase (EC 3.1.1.1 ).
ChEBI Ontology
Outgoing Relation(s)
benzoin (CHEBI:17682) has role EC 3.1.1.1 (carboxylesterase) inhibitor (CHEBI:78444)
benzoin (CHEBI:17682) is a benzoins (CHEBI:51586)
benzoin (CHEBI:17682) is a secondary α-hydroxy ketone (CHEBI:2468)
Incoming Relation(s)
(R)-benzoin (CHEBI:51509) is a benzoin (CHEBI:17682)
(S)-benzoin (CHEBI:51510) is a benzoin (CHEBI:17682)
IUPAC Name 
2-hydroxy-1,2-diphenylethanone
Synonyms  Source
BenzoinKEGG COMPOUND
2-Hydroxy-1,2-diphenylethanoneKEGG COMPOUND
2-hydroxy-1,2-diphenylethanoneChEBI
alpha-Hydroxybenzyl phenyl ketoneChemIDplus
alpha-Hydroxy-alpha-phenylacetophenoneChemIDplus
BenzoylphenylcarbinolChemIDplus
UniProt Name  Source
benzoinUniProt
Manual XrefsDatabases
C01408KEGG COMPOUND
C01408KEGG COMPOUND
BenzoinWikipedia
HMDB0032039HMDB
4663DrugCentral
Registry NumbersSources
Reaxys:391839Reaxys
CAS:119-53-9KEGG COMPOUND
CAS:119-53-9ChemIDplus
CAS:119-53-9NIST Chemistry WebBook
Citations