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> Main
CHEBI:10221 - α-copaene
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ChEBI Name
α-copaene
ChEBI ID
CHEBI:10221
ChEBI ASCII Name
alpha-copaene
Definition
A sesquiterpene that is tricyclo[4.4.0.0
2,7
]dec-3-ene bearing an isopropyl substituent at position 8 and two methyl substituents at positions 1 and 3 (the 1
S
,6
S
,7
S
,8
S
-diastereomer).
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)
11-
7-
8-
15(4)
12-
6-
5-
10(3)
14(15)
13(11)
12/h5,9,11-
14H,6-
8H2,1-
4H3/t11-
,12-
,13-
,14?,15-
/m0/s1
InChIKey
VLXDPFLIRFYIME-XIQJJJERSA-N
SMILES
[H][C@@]12[C@@H](CC[C@]3(C)C1C(C)=CC[C@@]23[H])C(C)C
ChEBI Ontology
Outgoing
α-copaene (
CHEBI:10221
)
is a
bridged compound (
CHEBI:35990
)
α-copaene (
CHEBI:10221
)
is a
sesquiterpene (
CHEBI:35189
)
IUPAC Name
(1
S
,6
S
,7
S
,8
S
)-
1,3-
dimethyl-
8-
(propan-
2-
yl)-
tricyclo[4.4.0.0
2,7
]dec-
3-
ene
Synonyms
Sources
(1
S
,6
S
,7
S
,8
S
)-
8-
isopropyl-
1,3-
dimethyltricyclo[4.4.0.0
2,7
]dec-
3-
ene
IUPAC
8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene
ChemIDplus
alpha-Copaene
KEGG COMPOUND
α-copaene
UniProt
Copaene
KEGG COMPOUND
Manual Xrefs
Databases
C00003118
KNApSAcK
C09639
KEGG COMPOUND
Copaene
Wikipedia
CPD-8234
MetaCyc
View more database links
Registry Numbers
Types
Sources
3856-25-5
CAS Registry Number
KEGG COMPOUND
3856-25-5
CAS Registry Number
ChemIDplus
3856-25-5
CAS Registry Number
NIST Chemistry WebBook
8910321
Reaxys Registry Number
Reaxys
Last Modified
23 October 2015