CHEBI:27723 - β-cadinene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-cadinene
ChEBI ID CHEBI:27723
ChEBI ASCII Name beta-cadinene
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10354, CHEBI:22833
Supplier Information
Download Molfile XML SDF
Formula C15H24
Net Charge 0
Average Mass 204.35106
Monoisotopic Mass 204.18780
InChI InChI=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
InChIKey USDOQCCMRDNVAH-KKUMJFAQSA-N
SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)=CC[C@H]2C(C)C
Roles Classification
Biological Role(s): volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
(via cadinene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-cadinene (CHEBI:27723) is a cadinene (CHEBI:22976)
IUPAC Name
cadina-3,9-diene
Synonyms Sources
(−)-β-cadinene NIST Chemistry WebBook
(1S,4aR,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene IUPAC
beta-Cadinene KEGG COMPOUND
β-cadinene UniProt
Manual Xrefs Databases
C00003106 KNApSAcK
C09625 KEGG COMPOUND
LMPR0103330003 LIPID MAPS
View more database links
Registry Numbers Types Sources
523-47-7 CAS Registry Number NIST Chemistry WebBook
523-47-7 CAS Registry Number ChemIDplus
Last Modified
21 July 2020