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CHEBI:229693 - cephalot-3(4)-ene

ChEBI IDCHEBI:229693
ChEBI Namecephalot-3(4)-ene
Stars
DefinitionA diterpene that is produced by a diterpene synthase from Cephalotaxus sinensis.
Last Modified28 February 2024
SubmitterMartin Engst
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@]12CC[C@@H](C)[C@]3(C)CC[C@]4(C)CCC=C(C)[C@@]([H])(C1)[C@]4([H])[C@]23[H]
InChIInChI=1S/C20H32/c1-13-6-5-9-19(3)10-11-20(4)14(2)7-8-15-12-16(13)18(19)17(15)20/h6,14-18H,5,7-12H2,1-4H3/t14-,15+,16-,17+,18-,19+,20+/m1/s1
InChIKeyVPEXEKPLIFYXOK-PHUPPTAPSA-N
Species of MetaboliteComponentSourceComments
Cephalotaxus sinensis (ncbitaxon:89484) - PubMed (37326357)
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)
cephalot-3(4)-ene (CHEBI:229693) has role plant metabolite (CHEBI:76924)
cephalot-3(4)-ene (CHEBI:229693) is a carbotetracyclic compound (CHEBI:177332)
cephalot-3(4)-ene (CHEBI:229693) is a diterpene (CHEBI:35190)
cephalot-3(4)-ene (CHEBI:229693) is a polycyclic olefin (CHEBI:35714)
IUPAC Name 
(1R,3aS,4aS,8aS,10aS,10bS,10cR)-1,5,8a,10a-tetramethyl-1,2,3,3a,4,4a,7,8,8a,9,10,10a,10b,10c-tetradecahydrocyclohepta[bc]acenaphthylene
Synonym  Source
cephaloteneSUBMITTER
Citations