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CHEBI:61686 - (+)-epicubenol

Default Structure
ChEBI IDCHEBI:61686
ChEBI Name(+)-epicubenol
Stars
DefinitionA carbobicyclic compound that is cis-decalin substituted by a propan-2-yl group at position 1, methyl groups at position 4 and 7, and a hydroxy group at position 4a, and containing a double bond between positions 7 and 8 (the 1R,4S,4aR,8aS diastereoisomer).
Last Modified28 July 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@]12C=C(C)CC[C@@]1(O)[C@@H](C)CC[C@@H]2C(C)C
InChIInChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15+/m0/s1
InChIKeyCOGPRPSWSKLKTF-GBJTYRQASA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-epicubenol (CHEBI:61686) is a octahydronaphthalenes (CHEBI:138397)
(+)-epicubenol (CHEBI:61686) is a sesquiterpenoid (CHEBI:26658)
(+)-epicubenol (CHEBI:61686) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,4S,4aR,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-4a(2H)-ol
UniProt Name  Source
(+)-epicubenolUniProt
Manual XrefsDatabases
CPD-12879MetaCyc
Registry NumbersSources
Reaxys:6567253Reaxys