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CHEBI:59065 - 3,3,5-trimethylcyclohexanol

ChEBI IDCHEBI:59065
ChEBI Name3,3,5-trimethylcyclohexanol
Stars
DefinitionA secondary alcohol that is cyclohexanol substituted by two methyl groups at the 3-position and one methyl group at the 5-position. It exhibits inhibitory activity against HMG-CoA reductase ( EC 1.1.1.34/EC 1.1.1.88).
Last Modified8 May 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H18O
Net Charge0
Average Mass142.242
Monoisotopic Mass142.13577
SMILESCC1CC(O)CC(C)(C)C1
InChIInChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3
InChIKeyBRRVXFOKWJKTGG-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor  Any EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that inhibits HMG-CoA reductases. Hydroxymethylglutaryl-CoA reductase inhibitors have been shown to lower directly cholesterol synthesis. The Enzyme Commission designation is EC 1.1.1.34 for the NADPH-dependent enzyme and EC 1.1.1.88 for an NADH-dependent enzyme.
ChEBI Ontology
Outgoing Relation(s)
3,3,5-trimethylcyclohexanol (CHEBI:59065) has role EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor (CHEBI:35664)
3,3,5-trimethylcyclohexanol (CHEBI:59065) is a cyclohexanols (CHEBI:23480)
3,3,5-trimethylcyclohexanol (CHEBI:59065) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
cyclandelate (CHEBI:3988) has functional parent 3,3,5-trimethylcyclohexanol (CHEBI:59065)
IUPAC Name 
3,3,5-trimethylcyclohexanol
Synonyms  Source
dihydroisophorolChemIDplus
homomentholNIST Chemistry WebBook
3,3,5-trimethyl-1-cyclohexanolNIST Chemistry WebBook
Registry NumbersSources
Reaxys:2203314Reaxys
CAS:116-02-9ChemIDplus
CAS:116-02-9NIST Chemistry WebBook
Citations