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CHEBI:68666 - (−)-α-isocomene

Default Structure
ChEBI IDCHEBI:68666
ChEBI Name(−)-α-isocomene
Stars
ASCII Name(-)-alpha-isocomene
DefinitionA tricyclic sesquiterpene that is 1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene bearing four methyl substituents at positions 1, 3a, 4 and 5a.
Last Modified25 March 2015
SubmitterKAX
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC1=C[C@]2(C)CCC[C@@]23[C@H](C)CC[C@@]13C
InChIInChI=1S/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h10-11H,5-9H2,1-4H3/t11-,13+,14+,15-/m1/s1
InChIKeySAOJPWFHRMUCFN-UQOMUDLDSA-N
Species of MetaboliteComponentSourceComments
Matricaria chamomilla var. recutita (ncbitaxon:127986) - PubMed (22682202)
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
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)
(−)-α-isocomene (CHEBI:68666) has role plant metabolite (CHEBI:76924)
(−)-α-isocomene (CHEBI:68666) has role volatile oil component (CHEBI:27311)
(−)-α-isocomene (CHEBI:68666) is a carbotricyclic compound (CHEBI:38032)
(−)-α-isocomene (CHEBI:68666) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1R,3aS,5aS,8aR)-1,3a,4,5a-tetramethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene
Synonym  Source
(−)-isocomeneLIPID MAPS
UniProt Name  Source
(−)-α-isocomeneUniProt
Manual XrefsDatabases
LMPR0103760002LIPID MAPS
Registry NumbersSources
Reaxys:2249036Reaxys
Citations