dolabradiene (CHEBI:141822)

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ChEBI Name	dolabradiene

ChEBI ID	CHEBI:141822

Definition	A 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).

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C20H32

Net Charge

Average Mass

272.469

Monoisotopic Mass

272.25040

InChI

InChI=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

InChIKey

GHYZJFFJSPZRIU-OUUBHVDSSA-N

SMILES

[C@@]12([C@]3([C@](CC[C@@]1(C[C@@](CC2)(C)C=C)[H])(C(CCC3)=C)C)[H])C

Metabolite of Species	Details
Thujopsis dolabrata (NCBI:txid13727)	Found in leaf (BTO:0000713). See: PubMed

Roles Classification
Biological Role(s):	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	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	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

Synonym	Source
dolabradiene	UniProt

Last Modified

01 October 2018