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CHEBI:138165 - (+)-(2S,3R,9R)-pristinol

ChEBI IDCHEBI:138165
ChEBI Name(+)-(2S,3R,9R)-pristinol
Stars
ASCII Name(+)-(2S,3R,9R)-pristinol
DefinitionA bicyclic sesquiterpenoid that is 2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-6-ol carrying four additional methyl substiuents at positions 1, 4, 8 and 8.
Last Modified3 August 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@@]12CC(C)(C)C[C@@H](O)C/C(C)=C\1CC[C@H]2C
InChIInChI=1S/C15H26O/c1-10-5-6-13-11(2)7-12(16)8-15(3,4)9-14(10)13/h10,12,14,16H,5-9H2,1-4H3/b13-11-/t10-,12+,14+/m1/s1
InChIKeyPXKJCWZAMAFFIW-GLBIRDDMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces pristinaespiralis (ncbitaxon:38300) - PubMed (27403888)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(+)-(2S,3R,9R)-pristinol (CHEBI:138165) has role bacterial metabolite (CHEBI:76969)
(+)-(2S,3R,9R)-pristinol (CHEBI:138165) is a carbobicyclic compound (CHEBI:36785)
(+)-(2S,3R,9R)-pristinol (CHEBI:138165) is a homoallylic alcohol (CHEBI:134362)
(+)-(2S,3R,9R)-pristinol (CHEBI:138165) is a secondary alcohol (CHEBI:35681)
(+)-(2S,3R,9R)-pristinol (CHEBI:138165) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3aZ,6R,9aS)-1,4,8,8-tetramethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-6-ol
Synonym  Source
(1R,6R,9aS)-1,4,8,8-tetramethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-6-olSUBMITTER
UniProt Name  Source
(+)-(2S,3R,9R)-pristinolUniProt
Manual XrefsDatabases
CPD-20250MetaCyc
Citations