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> Main
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.
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Formula
C15H24
Net Charge
0
Average Mass
204.35110
Monoisotopic Mass
204.18780
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
(3a
S
,3b
R
,4
S
,7
R
,7a
R
)-
7-
methyl-
3-
methylidene-
4-
(propan-
2-
yl)octahydro-
1
H
-
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
Manual Xrefs
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
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