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CHEBI:10363 - β-cubebene

ChEBI IDCHEBI:10363
ChEBI Nameβ-cubebene
Stars
ASCII Namebeta-cubebene
DefinitionA tricyclic sesquiterpene, a constituent of the leaf oil cubebene obtained from a variety of species of flowering plant.
Last Modified23 October 2015
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@]12C(=C)CC[C@]13[C@H](C)CC[C@@H](C(C)C)[C@]23[H]
InChIInChI=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
InChIKeyFSRZGYRCMPZNJF-KHMAMNHCSA-N
Roles Classification
Biological Role:
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-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  Source
(−)-β-cubebeneMetaCyc
(3aS-(3aalpha,3bbata,4beta,7alpha,7aS*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzeneChemIDplus
UniProt Name  Source
β-cubebeneUniProt
Manual XrefsDatabases
C09648KEGG COMPOUND
CPD-8803MetaCyc
C00003121KNApSAcK
Registry NumbersSources
CAS:13744-15-5KEGG COMPOUND
CAS:13744-15-5ChemIDplus
Citations