CHEBI:68666 - (−)-α-isocomene

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ChEBI Name (−)-α-isocomene
ChEBI ID CHEBI:68666
ChEBI ASCII Name (-)-alpha-isocomene
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C15H24
Net Charge 0
Average Mass 204.35110
Monoisotopic Mass 204.18780
InChI InChI=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
InChIKey SAOJPWFHRMUCFN-UQOMUDLDSA-N
SMILES C[C@@H]1CC[C@@]2(C)C(C)=C[C@]3(C)CCC[C@]123
Metabolite of Species Details
Matricaria chamomilla var. recutita (NCBI:txid127986) See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (−)-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
Synonyms Sources
(−)-α-isocomene UniProt
(−)-isocomene LIPID MAPS
Manual Xref Database
LMPR0103760002 LIPID MAPS
View more database links
Registry Number Type Source
2249036 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22682202 PubMed citation SUBMITTER
Last Modified
25 March 2015