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CHEBI:156227 - (−)-epicubenol

ChEBI IDCHEBI:156227
ChEBI Name(−)-epicubenol
Stars
ASCII Name(-)-epicubenol
DefinitionA sesquiterpenoid that is (8aS)-1,2,3,4,4a,5,6,8a-octahydronaphthalene substituted by an isopropyl group at position 1, methyl groups at positions 4 and 7, and by a hydroxy group at position 4a (the 1S,4R,4aS,8aR-diastereoisomer).
Last Modified28 July 2020
SubmitterAnne Morgat
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+/m1/s1
InChIKeyCOGPRPSWSKLKTF-QPSCCSFWSA-N
Species of MetaboliteComponentSourceComments
Pilgerodendron uviferum (ncbitaxon:103979) - PubMed (29861480)
Croton hieronymi (IPNI:342670-1) aerial part (BTO:0001658) DOI (10.1016/S0031-9422(03)00202-4)
Piper cubeba (ncbitaxon:405322) - DOI (10.1016/S0040-4039(00)91016-5)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
(−)-epicubenol (CHEBI:156227) has role plant metabolite (CHEBI:76924)
(−)-epicubenol (CHEBI:156227) has role volatile oil component (CHEBI:27311)
(−)-epicubenol (CHEBI:156227) is a octahydronaphthalenes (CHEBI:138397)
(−)-epicubenol (CHEBI:156227) is a sesquiterpenoid (CHEBI:26658)
(−)-epicubenol (CHEBI:156227) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,4R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-4a(2H)-ol
Synonyms  Source
(−)-epi-cubenolChEBI
epi-cubenolChemIDplus
epicubenolChemIDplus
UniProt Name  Source
(−)-epicubenolUniProt
Manual XrefsDatabases
FDB016012FooDB
C00020145KNApSAcK
HMDB0037031HMDB
Registry NumbersSources
CAS:19912-67-5ChemIDplus
CAS:19912-67-5NIST Chemistry WebBook
Citations