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CHEBI:59961 - α-selinene

ChEBI IDCHEBI:59961
ChEBI Nameα-selinene
Stars
ASCII Namealpha-selinene
DefinitionAn isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic (2R,4aR,8aR)-configuration..
Last Modified7 September 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]1(C(=C)C)CC[C@@]2(C)CCC=C(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/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14+,15-/m1/s1
InChIKeyOZQAPQSEYFAMCY-QLFBSQMISA-N
Roles Classification
Biological Roles:
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)
α-selinene (CHEBI:59961) has role plant metabolite (CHEBI:76924)
α-selinene (CHEBI:59961) is a octahydronaphthalenes (CHEBI:138397)
α-selinene (CHEBI:59961) is a selinene (CHEBI:49272)
IUPAC Name 
(2R,4aR,8aR)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Synonyms  Source
(2R-(2α,4aα,8aβ))-1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthaleneChemIDplus
2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthaleneNIST Chemistry WebBook
Eudesma-3,11-dieneChEBI
UniProt Name  Source
α-selineneUniProt
Manual XrefsDatabases
Alpha-selineneMetaCyc
HMDB0035810HMDB
Registry NumbersSources
Reaxys:2501574Reaxys
CAS:473-13-2ChemIDplus
CAS:473-13-2NIST Chemistry WebBook
Citations