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

Default Structure
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:
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.
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)
(+)-(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