EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229695 - verticilla-3,7,12(13)-triene

ChEBI IDCHEBI:229695
ChEBI Nameverticilla-3,7,12(13)-triene
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(C)[C@@]([H])(CC/C(C)=C\CC/C(C)=C/C1)C2(C)C
InChIInChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h8-9,11,18-19H,6-7,10,12-14H2,1-5H3/b15-9+,16-8-/t18-,19-/m1/s1
InChIKeyQNMSLJUGAUPVTC-ZNOGWTIRSA-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)
verticilla-3,7,12(13)-triene (CHEBI:229695) has role plant metabolite (CHEBI:76924)
verticilla-3,7,12(13)-triene (CHEBI:229695) is a carbobicyclic compound (CHEBI:36785)
verticilla-3,7,12(13)-triene (CHEBI:229695) is a diterpene (CHEBI:35190)
verticilla-3,7,12(13)-triene (CHEBI:229695) is a polycyclic olefin (CHEBI:35714)
IUPAC Name 
(1R,3E,11R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7,12-triene
Citations