(-)-beta-santalene (CHEBI:10440)

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ChEBI Name	(−)-β-santalene

ChEBI ID	CHEBI:10440

ChEBI ASCII Name	(-)-beta-santalene

Definition	A sesquiterpene and carbobicyclic compound that is bicyclo[2.2.1]heptane in which the hydrogens at position 3 are substituted by a methylidene group, while the 2-exo- and 2-endo- hydrogens are subsitituted by 2-methylpent-2-en-5-yl and methyl groups, respectively (the 1S,2R,4R enantiomer).

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H24

Net Charge

Average Mass

204.35110

Monoisotopic Mass

204.18780

InChI

InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1

InChIKey

PGBNIHXXFQBCPU-ILXRZTDVSA-N

SMILES

CC(C)=CCC[C@]1(C)[C@H]2CC[C@H](C2)C1=C

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	(−)-β-santalene (CHEBI:10440) has role plant metabolite (CHEBI:76924) (−)-β-santalene (CHEBI:10440) is a bridged compound (CHEBI:35990) (−)-β-santalene (CHEBI:10440) is a carbobicyclic compound (CHEBI:36785) (−)-β-santalene (CHEBI:10440) is a polycyclic olefin (CHEBI:35714) (−)-β-santalene (CHEBI:10440) is a sesquiterpene (CHEBI:35189)

IUPAC Name

(1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptane

Synonyms	Sources
(−)-β-santalene	UniProt
(1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane	ChEBI
beta-Santalene	KEGG COMPOUND

Citation	Type	Source
4796661	PubMed citation	Europe PMC

Last Modified

25 March 2015