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CHEBI:27618 - chalcone

ChEBI IDCHEBI:27618
ChEBI Namechalcone
Stars
DefinitionA member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group.
Secondary ChEBI IDsCHEBI:3571, CHEBI:23085
Last Modified25 June 2014
DownloadsMolfile
FormulaC15H12O
Net Charge0
Average Mass208.260
Monoisotopic Mass208.08882
SMILES[H]C(C(=O)c1ccccc1)=C([H])c1ccccc1
InChIInChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H
InChIKeyDQFBYFPFKXHELB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
chalcone (CHEBI:27618) has role plant metabolite (CHEBI:76924)
chalcone (CHEBI:27618) is a chalcones (CHEBI:23086)
chalcone (CHEBI:27618) is a styrenes (CHEBI:26799)
Incoming Relation(s)
2',3,4,4',6'-pentahydroxychalcone (CHEBI:10836) has functional parent chalcone (CHEBI:27618)
cis-chalcone (CHEBI:48966) is a chalcone (CHEBI:27618)
trans-chalcone (CHEBI:48965) is a chalcone (CHEBI:27618)
IUPAC Name 
1,3-diphenylprop-2-en-1-one
Synonyms  Source
ChalconeKEGG COMPOUND
BenzylideneacetophenoneKEGG COMPOUND
1,3-Diphenyl-2-propen-1-oneKEGG COMPOUND
α-benzylideneacetophenoneNIST Chemistry WebBook
β-benzoylstyreneNIST Chemistry WebBook
β-phenylacrylophenoneNIST Chemistry WebBook
Manual XrefsDatabases
C01484KEGG COMPOUND
ChalconeWikipedia
Registry NumbersSources
Gmelin:29124Gmelin
Reaxys:509985Reaxys
CAS:94-41-7KEGG COMPOUND
CAS:94-41-7ChemIDplus
CAS:94-41-7NIST Chemistry WebBook
Citations