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CHEBI:71045 - bisdemethoxycurcumin

Default Structure
ChEBI IDCHEBI:71045
ChEBI Namebisdemethoxycurcumin
Stars
DefinitionA β-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups.
Last Modified3 August 2014
SubmitterKAX
DownloadsMolfile
FormulaC19H16O4
Net Charge0
Average Mass308.333
Monoisotopic Mass308.10486
SMILESO=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+
InChIKeyPREBVFJICNPEKM-YDWXAUTNSA-N
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.
EC 3.2.1.1 (alpha-amylase) inhibitor  An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of α-amylase (EC 3.2.1.1).
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)
bisdemethoxycurcumin (CHEBI:71045) has functional parent 4-coumaric acid (CHEBI:36090)
bisdemethoxycurcumin (CHEBI:71045) has role EC 3.2.1.1 (α-amylase) inhibitor (CHEBI:50627)
bisdemethoxycurcumin (CHEBI:71045) has role metabolite (CHEBI:25212)
bisdemethoxycurcumin (CHEBI:71045) is a diarylheptanoid (CHEBI:78802)
bisdemethoxycurcumin (CHEBI:71045) is a enone (CHEBI:51689)
bisdemethoxycurcumin (CHEBI:71045) is a polyphenol (CHEBI:26195)
bisdemethoxycurcumin (CHEBI:71045) is a β-diketone (CHEBI:67265)
IUPAC Name 
(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
Synonyms  Source
1,7-Bis(4-hydroxyphenyl)-1,6-Heptadiene-3,5-dioneHMDB
Bis(4-hydroxycinnamoyl)methaneChemIDplus
Bis(p-hydroxycinnamoyl)methaneChemIDplus
Curcumin IIIChemIDplus
DidemethoxycurcuminChemIDplus
UniProt Name  Source
bisdemethoxycurcuminUniProt
Manual XrefsDatabases
C17743KEGG COMPOUND
CPD-12188MetaCyc
US2006258752Patent
US2010048957Patent
WO2007011674Patent
Registry NumbersSources
Reaxys:3149384Reaxys
CAS:24939-16-0KEGG COMPOUND
CAS:24939-16-0ChemIDplus
CAS:33171-05-0ChemIDplus
Citations