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CHEBI:67252 - farnesyl acetone

ChEBI IDCHEBI:67252
ChEBI Namefarnesyl acetone
Stars
DefinitionA terpene ketone in which an (E,E)-farnesyl group is bonded to one of the α-methyls of acetone.
Last Modified4 September 2012
DownloadsMolfile
FormulaC18H30O
Net Charge0
Average Mass262.437
Monoisotopic Mass262.22967
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
InChIKeyLTUMRKDLVGQMJU-IUBLYSDUSA-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.
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
farnesyl acetone (CHEBI:67252) has part 2-trans,6-trans-farnesyl group (CHEBI:36535)
farnesyl acetone (CHEBI:67252) has role hormone (CHEBI:24621)
farnesyl acetone (CHEBI:67252) has role metabolite (CHEBI:25212)
farnesyl acetone (CHEBI:67252) is a terpene ketone (CHEBI:26872)
IUPAC Name 
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
Synonyms  Source
(E,E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-oneChemIDplus
(E,E)-farnesylacetoneMetaCyc
trans,trans-farnesylacetoneMetaCyc
farnesylacetoneChEBI
Manual XrefsDatabases
CPD-12898MetaCyc
US2010204520Patent
WO2009019132Patent
EP2188240Patent
Registry NumbersSources
Reaxys:1725396Reaxys
CAS:1117-52-8ChemIDplus
CAS:1117-52-8NIST Chemistry WebBook
Citations