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CHEBI:138050 - pseudolaratriene

ChEBI IDCHEBI:138050
ChEBI Namepseudolaratriene
Stars
DefinitionA 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.
Last Modified16 October 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@]12CCC(C)=CC[C@]1(C)CC[C@@]2([H])/C(C)=C\CC=C(C)C
InChIInChI=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
InChIKeyFUOLWDALQQTTKB-OHAZERQJSA-N
Species of MetaboliteComponentSourceComments
Pseudolarix amabilis (ncbitaxon:3355) root (BTO:0001188) PubMed (28096378)
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)
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
UniProt Name  Source
pseudolaratrieneUniProt
Manual XrefsDatabases
CPD-20245MetaCyc
Registry NumbersSources
Reaxys:30775058Reaxys
Citations