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CHEBI:10443 - (+)-β-selinene

ChEBI IDCHEBI:10443
ChEBI Name(+)-β-selinene
Stars
ASCII Name(+)-beta-selinene
DefinitionAn optically active form of β-selinene having (+)-(4aR,7R,8aS)-configuration.
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]1(C(=C)C)CC[C@@]2(C)CCCC(=C)[C@]2([H])C1
InChIInChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1
InChIKeyYOVSPTNQHMDJAG-QLFBSQMISA-N
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
(+)-β-selinene (CHEBI:10443) is a β-selinene (CHEBI:49276)
(+)-β-selinene (CHEBI:10443) is enantiomer of (−)-β-selinene (CHEBI:49274)
Incoming Relation(s)
(−)-β-selinene (CHEBI:49274) is enantiomer of (+)-β-selinene (CHEBI:10443)
IUPAC Names 
(4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene
eudesma-4(14),11-diene
Synonyms  Source
beta-SelineneKEGG COMPOUND
(4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthaleneIUPAC
[4aR-(4aα,7α,8aβ)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthaleneNIST Chemistry WebBook
(+)-β-selineneNIST Chemistry WebBook
β-eudesmeneNIST Chemistry WebBook
UniProt Name  Source
(+)-β-selineneUniProt
Manual XrefsDatabases
C09723KEGG COMPOUND
C00003186KNApSAcK
Registry NumbersSources
Beilstein:2044561Beilstein
Reaxys:4664142Reaxys
CAS:17066-67-0KEGG COMPOUND
CAS:17066-67-0NIST Chemistry WebBook
CAS:17066-67-0ChemIDplus