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CHEBI:27723 - β-cadinene

Default Structure
ChEBI IDCHEBI:27723
ChEBI Nameβ-cadinene
Stars
ASCII Namebeta-cadinene
Secondary ChEBI IDsCHEBI:10354, CHEBI:22833
Last Modified21 July 2020
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12CC=C(C)C[C@@]1([H])[C@H](C(C)C)CC=C2C
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1
InChIKeyUSDOQCCMRDNVAH-KKUMJFAQSA-N
Roles Classification
Biological Role:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
β-cadinene (CHEBI:27723) is a cadinene (CHEBI:22976)
IUPAC Name 
cadina-3,9-diene
Synonyms  Source
(1S,4aR,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthaleneIUPAC
beta-CadineneKEGG COMPOUND
(−)-β-cadineneNIST Chemistry WebBook
UniProt Name  Source
β-cadineneUniProt
Manual XrefsDatabases
C00003106KNApSAcK
C09625KEGG COMPOUND
LMPR0103330003LIPID MAPS
Registry NumbersSources
CAS:523-47-7KEGG COMPOUND
CAS:523-47-7NIST Chemistry WebBook
CAS:523-47-7ChemIDplus