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> Main
CHEBI:17695 - casbene
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ChEBI Ontology
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ChEBI Name
casbene
ChEBI ID
CHEBI:17695
Definition
A diterpene comprising bicyclo[12.1.0]pentadeca-2,6,10-triene having three methyl substituents located at the 3-, 7- and 11-positions as well as
gem
-dimethyl groups at the 15-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:3444, CHEBI:13949, CHEBI:23049
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Formula
C20H32
Net Charge
0
Average Mass
272.46808
Monoisotopic Mass
272.25040
InChI
InChI=1S/C20H32/c1-
15-
8-
6-
10-
16(2)
12-
13-
18-
19(20(18,4)
5)
14-
17(3)
11-
7-
9-
15/h9-
10,14,18-
19H,6-
8,11-
13H2,1-
5H3/b15-
9+,16-
10+,17-
14+
InChIKey
ZJMVJDFTNPZVMB-QOCMWZQCSA-N
SMILES
C\C1=C/CC\C(C)=C\C2C(CC\C(C)=C\CC1)C2(C)C
Roles Classification
Biological Role
(s):
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
casbene (
CHEBI:17695
)
has parent hydride
casbane (
CHEBI:36768
)
casbene (
CHEBI:17695
)
has role
antifungal agent (
CHEBI:35718
)
casbene (
CHEBI:17695
)
is a
diterpene (
CHEBI:35190
)
Incoming
(−)-casbene (
CHEBI:157595
)
is a
casbene (
CHEBI:17695
)
IUPAC Name
(2
E
,6
E
,10
E
)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
Synonyms
Sources
Casbene
KEGG COMPOUND
casbene
UniProt
Manual Xrefs
Databases
C00000864
KNApSAcK
C01414
KEGG COMPOUND
LMPR0104290001
LIPID MAPS
View more database links
Registry Number
Type
Source
5269179
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16660566
PubMed citation
Europe PMC
16662367
PubMed citation
Europe PMC
16664817
PubMed citation
Europe PMC
Last Modified
09 April 2015