EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:137565 - (3E,7E)-dolabella-3,7-dien-18-ol

ChEBI IDCHEBI:137565
ChEBI Name(3E,7E)-dolabella-3,7-dien-18-ol
Stars
ASCII Name(3E,7E)-dolabella-3,7-dien-18-ol
DefinitionA tricyclic diterpene with formula C20H32 which is produced by a diterpene cyclase gene expressed in roots of Arabidopsis.
Last Modified3 August 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@@]12CC/C(C)=C/CC/C(C)=C/C[C@@]1(C)CC[C@H]2C(C)(C)O
InChIInChI=1S/C20H34O/c1-15-7-6-8-16(2)11-13-20(5)14-12-17(19(3,4)21)18(20)10-9-15/h7,11,17-18,21H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+/t17-,18+,20+/m1/s1
InChIKeyOEBBSSBZPLXOHC-HJHANVIFSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) - MetaboLights (27933080)
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)
(3E,7E)-dolabella-3,7-dien-18-ol (CHEBI:137565) has role plant metabolite (CHEBI:76924)
(3E,7E)-dolabella-3,7-dien-18-ol (CHEBI:137565) is a carbobicyclic compound (CHEBI:36785)
(3E,7E)-dolabella-3,7-dien-18-ol (CHEBI:137565) is a diterpenoid (CHEBI:23849)
(3E,7E)-dolabella-3,7-dien-18-ol (CHEBI:137565) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
2-[(1R,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl]propan-2-ol
Synonym  Source
(1R,3E,7E,11S,12R)-dolabella-3,7-diene-18-olChEBI
UniProt Name  Source
(3E,7E)-dolabella-3,7-dien-18-olUniProt
Manual XrefsDatabases
CPD-20109MetaCyc
Registry NumbersSources
Reaxys:10284389Reaxys
Citations