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CHEBI:78399 - trans-benzylideneacetone

ChEBI IDCHEBI:78399
ChEBI Nametrans-benzylideneacetone
Stars
ASCII Nametrans-benzylideneacetone
DefinitionThe trans-isomer of benzylideneacetone. It acts as an inhibitor of the enzyme phospholipase A2 (EC 3.1.1.4) of insects like diamond back moth.
Last Modified30 April 2014
Submitternamrata
DownloadsMolfile
FormulaC10H10O
Net Charge0
Average Mass146.189
Monoisotopic Mass146.07316
SMILESCC(=O)/C=C/c1ccccc1
InChIInChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
InChIKeyBWHOZHOGCMHOBV-BQYQJAHWSA-N
Roles Classification
Biological Roles:
EC 3.1.1.4 (phospholipase A2) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of phospholipase A2 (EC 3.1.1.4).
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Applications:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
trans-benzylideneacetone (CHEBI:78399) has role bacterial metabolite (CHEBI:76969)
trans-benzylideneacetone (CHEBI:78399) has role EC 3.1.1.4 (phospholipase A2) inhibitor (CHEBI:50469)
trans-benzylideneacetone (CHEBI:78399) has role flavouring agent (CHEBI:35617)
trans-benzylideneacetone (CHEBI:78399) has role fragrance (CHEBI:48318)
trans-benzylideneacetone (CHEBI:78399) is a benzylideneacetone (CHEBI:217301)
IUPAC Name 
(3E)-4-phenylbut-3-en-2-one
Synonyms  Source
trans-BenzalacetoneChemIDplus
Methyl trans-styryl ketoneChemIDplus
trans-4-Phenyl-3-butene-2-oneChemIDplus
Manual XrefsDatabases
HMDB0031617HMDB
Registry NumbersSources
Reaxys:742047Reaxys
CAS:1896-62-4ChemIDplus
Citations