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CHEBI:141822 - dolabradiene

ChEBI IDCHEBI:141822
ChEBI Namedolabradiene
Stars
DefinitionA carbotricyclic compound and diterpene that is tetradecahydrophenanthrene which is substituted by a methylene group at position 1, methyl groups at positions 4b, 7, and 10a, and a vinyl group at position 7 (the 4aS,4bR,7S,8aR,10aS stereoisomer).
Last Modified1 October 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@]12CC[C@]3(C)C(=C)CCC[C@@]3([H])[C@]1(C)CC[C@](C)(C=C)C2
InChIInChI=1S/C20H32/c1-6-18(3)12-13-20(5)16(14-18)10-11-19(4)15(2)8-7-9-17(19)20/h6,16-17H,1-2,7-14H2,3-5H3/t16-,17-,18+,19-,20-/m1/s1
InChIKeyGHYZJFFJSPZRIU-OUUBHVDSSA-N
Species of MetaboliteComponentSourceComments
Thujopsis dolabrata (ncbitaxon:13727) leaf (BTO:0000713) PubMed (11412956)
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)
dolabradiene (CHEBI:141822) has role plant metabolite (CHEBI:76924)
dolabradiene (CHEBI:141822) is a carbotricyclic compound (CHEBI:38032)
dolabradiene (CHEBI:141822) is a diterpene (CHEBI:35190)
dolabradiene (CHEBI:141822) is a olefinic compound (CHEBI:78840)
Incoming Relation(s)
15,16-epoxydolabrene (CHEBI:141821) has functional parent dolabradiene (CHEBI:141822)
IUPAC Name 
(4aS,4bR,7S,8aR,10aS)-4b,7,10a-trimethyl-1-methylene-7-vinyltetradecahydrophenanthrene
UniProt Name  Source
dolabradieneUniProt
Manual XrefsDatabases
CPD-21265MetaCyc
Registry NumbersSources
Reaxys:2504422Reaxys
CAS:3650-13-3NIST Chemistry WebBook
Citations