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CHEBI:75417 - dibenzoylmethane

Default Structure
ChEBI IDCHEBI:75417
ChEBI Namedibenzoylmethane
Stars
DefinitionA β-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects.
Last Modified24 February 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H12O2
Net Charge0
Average Mass224.259
Monoisotopic Mass224.08373
SMILESO=C(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyNZZIMKJIVMHWJC-UHFFFAOYSA-N
Wikipedia
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.
antimutagen  An agent that reduces or interferes with the mutagenic actions or effects of a substance.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
dibenzoylmethane (CHEBI:75417) has role antimutagen (CHEBI:73190)
dibenzoylmethane (CHEBI:75417) has role antineoplastic agent (CHEBI:35610)
dibenzoylmethane (CHEBI:75417) has role metabolite (CHEBI:25212)
dibenzoylmethane (CHEBI:75417) is a aromatic ketone (CHEBI:76224)
dibenzoylmethane (CHEBI:75417) is a β-diketone (CHEBI:67265)
Incoming Relation(s)
2,4,4',6-tetrahydroxydibenzoylmethane (CHEBI:75418) has functional parent dibenzoylmethane (CHEBI:75417)
IUPAC Name 
1,3-diphenylpropane-1,3-dione
Synonyms  Source
1,3-Diphenyl-1,3-propanedioneChemIDplus
2-BenzoylacetophenoneChemIDplus
DBMChEBI
omega-BenzoylacetophenoneChemIDplus
Phenyl phenacyl ketoneChemIDplus
ω-benzoylacetophenoneChemIDplus
Manual XrefsDatabases
DibenzoylmethaneWikipedia
LSM-2003LINCS
Registry NumbersSources
Reaxys:514910Reaxys
CAS:120-46-7ChemIDplus
Citations