EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:156224 - (−)-cubenol

ChEBI IDCHEBI:156224
ChEBI Name(−)-cubenol
Stars
ASCII Name(-)-cubenol
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,4aR,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-CBBWQLFWSA-N
Species of MetaboliteComponentSourceComments
Chamomilla recutita (IPNI:192583-1) - PubMed (11561445)
Arisaema anurans (ncbitaxon:50230) - PubMed (30253851)
Piper nigrum (ncbitaxon:13216) leaf (BTO:0000713) PubMed (31652848)
Pilgerodendron uviferum (ncbitaxon:103979) - PubMed (29861480)
Leptospermum scoparium (ncbitaxon:295139) - PubMed (32078653)
Anthemis maritima (ncbitaxon:127979) flower (BTO:0000469) PubMed (27114258)
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.
Application:
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
ChEBI Ontology
Outgoing Relation(s)
(−)-cubenol (CHEBI:156224) has role acaricide (CHEBI:22153)
(−)-cubenol (CHEBI:156224) has role plant metabolite (CHEBI:76924)
(−)-cubenol (CHEBI:156224) has role volatile oil component (CHEBI:27311)
(−)-cubenol (CHEBI:156224) is a octahydronaphthalenes (CHEBI:138397)
(−)-cubenol (CHEBI:156224) is a sesquiterpenoid (CHEBI:26658)
(−)-cubenol (CHEBI:156224) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,4R,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-4a(2H)-ol
Synonyms  Source
cubenolChemIDplus
10βH-cadin-4-en-1-olChemIDplus
UniProt Name  Source
cubenolUniProt
Manual XrefsDatabases
HMDB0059841HMDB
C00033734KNApSAcK
Registry NumbersSources
CAS:21284-22-0NIST Chemistry WebBook
CAS:21284-22-0ChemIDplus
Citations