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CHEBI:139494 - beta-pinacene

ChEBI IDCHEBI:139494
ChEBI Namebeta-pinacene
Stars
DefinitionA diterpene that is cyclotetradeca-1,3,7,11-tetraene which is substituted by methyl groups at positions 1, 7, and 11, and by an isopropyl group at position 4 (the 1Z,3E,7E,11E isomer). It is a constituent of the essential oils from Pinus koraiensis and Pinus sibirica.
Last Modified3 August 2020
Submitterrjdodson
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILESC/C1=C/C=C(/C(C)C)CC/C(C)=C/CC/C(C)=C/CC1
InChIInChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14,16H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12-,19-11+,20-14+
InChIKeyUJUWZMUCEGGBOH-FAZZLAFVSA-N
Species of MetaboliteComponentSourceComments
Pinus koraiensis (ncbitaxon:88728) - Article (Chem Nat Compd (1971) 7: 582) Isolated from the oleoresin
Pinus sibirica (ncbitaxon:62752) - Article (Chem Nat Compd (1971) 7: 582) Isolated from the oleoresin
Roles Classification
Biological Role:
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)
beta-pinacene (CHEBI:139494) has role plant metabolite (CHEBI:76924)
beta-pinacene (CHEBI:139494) is a diterpene (CHEBI:35190)
beta-pinacene (CHEBI:139494) is a macrocycle (CHEBI:51026)
beta-pinacene (CHEBI:139494) is a monocyclic hydrocarbon (CHEBI:33664)
IUPAC Name 
(1Z,3E,7E,11E)-4-isopropyl-1,7,11-trimethylcyclotetradeca-1,3,7,11-tetraene
Synonym  Source
1(14)E,2Z,6E,10E-14-isopropyl-3,7,11-trimethylcyclotetradeca-1(14),3,7,11-tetraeneChEBI
UniProt Name  Source
β-pinaceneUniProt
Manual XrefsDatabases
FDB019348FooDB
Citations