CHEBI:16310 - sulcatone

ChEBI IDCHEBI:16310
ChEBI Namesulcatone
Stars
DefinitionA heptenone that is hept-5-en-2-one substituted by a methyl group at position 6. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil.
Secondary ChEBI IDsCHEBI:9324, CHEBI:15134, CHEBI:26818
Last Modified4 September 2017
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESCC(=O)CCC=C(C)C
InChIInChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKeyUHEPJGULSIKKTP-UHFFFAOYSA-N
Roles Classification
Biological Roles:
alarm pheromone  A pheromone which is released by an organism when damaged by a predator which warns other individuals that there is a danger.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
sulcatone (CHEBI:16310) has role alarm pheromone (CHEBI:72575)
sulcatone (CHEBI:16310) has role plant metabolite (CHEBI:76924)
sulcatone (CHEBI:16310) has role volatile oil component (CHEBI:27311)
sulcatone (CHEBI:16310) is a heptenone (CHEBI:24523)
sulcatone (CHEBI:16310) is a methyl ketone (CHEBI:51867)
IUPAC Name 
6-methylhept-5-en-2-one
Synonyms  Source
SulcatoneKEGG COMPOUND
6-Methylhept-5-en-2-oneKEGG COMPOUND
6-Methyl-5-hepten-2-oneKEGG COMPOUND
6-methyl-5-hepten-2-oneChEBI
6-methylhept-5-en-2-oneChEBI
UniProt Name  Source
sulcatoneUniProt
Manual XrefsDatabases
C07287KEGG COMPOUND
HMDB0035915HMDB
C00011400KNApSAcK
Registry NumbersSources
Reaxys:1741705Reaxys
CAS:110-93-0KEGG COMPOUND
CAS:110-93-0ChemIDplus
CAS:110-93-0NIST Chemistry WebBook
Citations