pseudolaratriene (CHEBI:138050)

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ChEBI Name	pseudolaratriene

ChEBI ID	CHEBI:138050

Definition	A bicyclic diterpene that is 1,2,3,3a,4,5,8,8a-octahydroazulene carrying two methyl substituents at positions 6 and 8a as well as a 6-methylhepta-2,5-dien-2-yl at position 3. The relative stereochemistry has been assigned tentatively.

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/c1-15(2)7-6-8-17(4)18-12-14-20(5)13-11-16(3)9-10-19(18)20/h7-8,11,18-19H,6,9-10,12-14H2,1-5H3/b17-8-/t18-,19+,20+/m0/s1

InChIKey

FUOLWDALQQTTKB-OHAZERQJSA-N

SMILES

[C@@]12([C@@]([C@@](CC1)(/C(=C\CC=C(C)C)/C)[H])(CCC(=CC2)C)[H])C

Metabolite of Species	Details
Pseudolarix amabilis (NCBI:txid3355)	Found in root (BTO:0001188). 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	pseudolaratriene (CHEBI:138050) has role plant metabolite (CHEBI:76924) pseudolaratriene (CHEBI:138050) is a carbobicyclic compound (CHEBI:36785) pseudolaratriene (CHEBI:138050) is a diterpene (CHEBI:35190) pseudolaratriene (CHEBI:138050) is a polycyclic olefin (CHEBI:35714)

IUPAC Name

rel-(3R,3aR,8aS)-6,8a-dimethyl-3-[(2Z)-6-methylhepta-2,5-dien-2-yl]-1,2,3,3a,4,5,8,8a-octahydroazulene

Synonym	Source
pseudolaratriene	UniProt

Registry Number	Type	Source
30775058	Reaxys Registry Number	Reaxys

Citation	Type	Source
28096378	PubMed citation	SUBMITTER

Last Modified

16 October 2017