EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70159 - (+)-(S)-ar-turmerone

ChEBI IDCHEBI:70159
ChEBI Name(+)-(S)-ar-turmerone
Stars
ASCII Name(+)-(S)-ar-turmerone
DefinitionA sesquiterpenoid that is 2-methylhept-2-en-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from Peltophorum dasyrachis.
Last Modified25 March 2015
DownloadsMolfile
FormulaC15H20O
Net Charge0
Average Mass216.324
Monoisotopic Mass216.15142
SMILESCC(C)=CC(=O)C[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3/t13-/m0/s1
InChIKeyNAAJVHHFAXWBOK-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Peltophorum dasyrachis (IPNI:513013-1) - PubMed (21189039)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC 3.1.1.7 (acetylcholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
ChEBI Ontology
Outgoing Relation(s)
(+)-(S)-ar-turmerone (CHEBI:70159) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
(+)-(S)-ar-turmerone (CHEBI:70159) has role plant metabolite (CHEBI:76924)
(+)-(S)-ar-turmerone (CHEBI:70159) is a enone (CHEBI:51689)
(+)-(S)-ar-turmerone (CHEBI:70159) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(6S)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one
Registry NumbersSources
Reaxys:3606512Reaxys
CAS:532-65-0ChemIDplus
Citations