CHEBI:156224 - (−)-cubenol

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ChEBI Name (−)-cubenol
ChEBI ID CHEBI:156224
ChEBI ASCII Name (-)-cubenol
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C15H26O
Net Charge 0
Average Mass 222.372
Monoisotopic Mass 222.19837
InChI InChI=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
InChIKey COGPRPSWSKLKTF-CBBWQLFWSA-N
SMILES [C@]12([C@@H](CC[C@H]([C@@]2(CCC(=C1)C)O)C)C(C)C)[H]
Metabolite of Species Details
Chamomilla recutita (IPNI:192583-1) See: PubMed
Pilgerodendron uviferum (NCBI:txid103979) See: PubMed
Anthemis maritima (NCBI:txid127979) Found in flower (BTO:0000469). See: PubMed
Piper nigrum (NCBI:txid13216) Found in leaf (BTO:0000713). See: PubMed
Leptospermum scoparium (NCBI:txid295139) See: PubMed
Arisaema anurans (NCBI:txid50230) See: PubMed
Roles Classification
Biological Role(s): volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): acaricide
A substance used to destroy pests of the subclass Acari (mites and ticks).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (−)-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 Sources
10βH-cadin-4-en-1-ol ChemIDplus
cubenol ChemIDplus
cubenol UniProt
Manual Xrefs Databases
C00033734 KNApSAcK
HMDB0059841 HMDB
View more database links
Registry Numbers Types Sources
21284-22-0 CAS Registry Number ChemIDplus
21284-22-0 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
11561445 PubMed citation Europe PMC
24641242 PubMed citation Europe PMC
27114258 PubMed citation Europe PMC
29861480 PubMed citation Europe PMC
30253851 PubMed citation Europe PMC
31652848 PubMed citation Europe PMC
32078653 PubMed citation Europe PMC
32233445 PubMed citation SUBMITTER
Last Modified
28 July 2020