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CHEBI:17695 - casbene

ChEBI IDCHEBI:17695
ChEBI Namecasbene
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:3444, CHEBI:13949, CHEBI:23049
Last Modified9 April 2015
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILESC/C1=C\CC/C(C)=C/C2C(CC/C(C)=C/CC1)C2(C)C
InChIInChI=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+
InChIKeyZJMVJDFTNPZVMB-QOCMWZQCSA-N
Roles Classification
Biological Role:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(−)-casbene (CHEBI:157595) is a casbene (CHEBI:17695)
IUPAC Name 
(2E,6E,10E)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
Synonym  Source
CasbeneKEGG COMPOUND
UniProt Name  Source
casbeneUniProt
Manual XrefsDatabases
C01414KEGG COMPOUND
LMPR0104290001LIPID MAPS
C00000864KNApSAcK
Registry NumbersSources
Reaxys:5269179Reaxys
Citations