CHEBI:10363 - β-cubebene

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ChEBI Name β-cubebene
ChEBI ID CHEBI:10363
ChEBI ASCII Name beta-cubebene
Definition A tricyclic sesquiterpene, a constituent of the leaf oil cubebene obtained from a variety of species of flowering plant.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H24
Net Charge 0
Average Mass 204.35110
Monoisotopic Mass 204.188
InChI InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1
InChIKey FSRZGYRCMPZNJF-KHMAMNHCSA-N
SMILES [H][C@]12[C@@H](CC[C@@H](C)[C@]11CCC(=C)[C@]21[H])C(C)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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-cubebene (CHEBI:10363) has role plant metabolite (CHEBI:76924)
β-cubebene (CHEBI:10363) is a carbotricyclic compound (CHEBI:38032)
β-cubebene (CHEBI:10363) is a sesquiterpene (CHEBI:35189)
IUPAC Name
(3aS,3bR,4S,7R,7aR)-7-methyl-3-methylidene-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene
Synonyms Sources
(−)-β-cubebene MetaCyc
(3aS-(3aalpha,3bbata,4beta,7alpha,7aS*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene ChemIDplus
β-cubebene UniProt
Database Links Databases
C00003121 KNApSAcK
C09648 KEGG COMPOUND
CPD-8803 MetaCyc
View more database links
Registry Numbers Types Sources
13744-15-5 CAS Registry Number KEGG COMPOUND
13744-15-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12587209 PubMed citation Europe PMC
15241917 PubMed citation Europe PMC
19370937 PubMed citation Europe PMC
19449812 PubMed citation Europe PMC
20401796 PubMed citation Europe PMC
20433088 PubMed citation Europe PMC
Last Modified
23 October 2015