beta-pinacene (CHEBI:139494)

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ChEBI Name	beta-pinacene

ChEBI ID	CHEBI:139494

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Robert Dodson

Supplier Information

Download	Molfile XML SDF

Formula

C20H32

Net Charge

Average Mass

272.476

Monoisotopic Mass

272.25040

InChI

InChI=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+

InChIKey

UJUWZMUCEGGBOH-FAZZLAFVSA-N

SMILES

CC(C)C1=C/C=C(C)\CC\C=C(C)\CC\C=C(C)\CC\1

Metabolite of Species	Details
Pinus sibirica (NCBI:txid62752)	Isolated from the oleoresin See: Chem Nat Compd (1971) 7: 582
Pinus koraiensis (NCBI:txid88728)	Isolated from the oleoresin See: Chem Nat Compd (1971) 7: 582

Roles Classification
Biological Role(s):	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	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

Synonyms	Sources
1(14)E,2Z,6E,10E-14-isopropyl-3,7,11-trimethylcyclotetradeca-1(14),3,7,11-tetraene	ChEBI
β-pinacene	UniProt

Citation	Type	Source
28696553	PubMed citation	SUBMITTER

Last Modified

03 August 2020