(1A,2a,5a)-2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol (CED0159747)

Record Information
Version1.0
Creation Date2026-04-05 20:49:29 UTC
Update Date2026-04-05 20:49:29 UTC
Accession NumberCHEM109231
Identification
Common Name(1A,2a,5a)-2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol
ClassSmall Molecule
Description
(1A,2a,5a)-2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules and has the chemical formula C10H18O.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H18O
Average Molecular MassNot Available
Monoisotopic Mass154.136 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3
InChI KeyKXSDPILWMGFJMM-AEJSXWLSSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-06ry-9500000000-04f93222911aa4fcda88Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052r-0900000000-bb4d810a903b49168645Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052r-3900000000-86e0dbc0c378d01fe9abNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05gr-9600000000-5d9c2e6a315957147392Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0900000000-e9344613e0d30c201ac7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0900000000-f35baa9b2bece161cc90Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0k9i-4900000000-18c55cbbe6856fe13652Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2694.0Log mg/kg[1500:4800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Secretory phospholipase A2 receptor structureClick to view 3D structureSecretory phospholipase A2 receptorQ13018HumansPredicted (SEA)1.94623
Click to view 3D structureAbscisic acid 8'-hydroxylase 3Q9FH76Arabidopsis thalianaPredicted (SEA)5.29375
Click to view 3D structureEukaryotic elongation factor 2 kinaseP70531Rattus norvegicusPredicted (SEA)44.919
Click to view 3D structureS-adenosyl-L-methionine:delta24-sterol-C-methyltransferaseQ43445Glycine maxPredicted (SEA)11.2103
Click to view 3D structureVitamin D3 receptorO42392Gallus gallusPredicted (SEA)18.1389
Click to view 3D structureGalactocerebrosidaseP54818Mus musculusPredicted (SEA)5.13805
FUN14 domain-containing protein 1 structureClick to view 3D structureFUN14 domain-containing protein 1Q8IVP5HumansPredicted (SEA)26.4687
Alpha-crystallin A chain structureClick to view 3D structureAlpha-crystallin A chainP02489HumansPredicted (SEA)20.7079
Click to view 3D structureGlycine receptor subunit alpha-2P22771Rattus norvegicusPredicted (SEA)3.81461
Click to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P50172Mus musculusPredicted (SEA)3865.37
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)6057.6
Click to view 3D structureEcdysone receptorP34021Drosophila melanogasterPredicted (SEA)49.4343
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)3546.42
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)5122.25
11-beta-hydroxysteroid dehydrogenase 1 structureClick to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P28845HumansPredicted (SEA)5929.07
Tubulin--tyrosine ligase structureClick to view 3D structureTubulin--tyrosine ligaseQ8NG68HumansPredicted (SEA)34.2537
Click to view 3D structureProteaseQ9YQ12Human immunodeficiency virus 1Predicted (SEA)2849.59
Alpha-crystallin B chain structureClick to view 3D structureAlpha-crystallin B chainP02511HumansPredicted (SEA)32.8524
Bile acid receptor structureClick to view 3D structureBile acid receptorQ96RI1HumansPredicted (SEA)6560.35
Click to view 3D structureGamma-aminobutyric acid type B receptor subunit 1Q9Z0U4Rattus norvegicusPredicted (SEA)297.15
Click to view 3D structureRyanodine receptor 2Q8WN72Canis lupus familiarisPredicted (SEA)68.0402
Click to view 3D structureRyanodine receptor 3A2AGL3Mus musculusPredicted (SEA)68.0402
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)7753.32
Click to view 3D structure3-dehydroquinate synthaseP07639Escherichia coli K-12Predicted (SEA)25.301
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)6094.97
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available