1H,4H-3a,8a-Epoxy-4,7-methanoazulene, hexahydro-1,4,10,10-tetramethyl- (CED0180547)

Record Information
Version1.0
Creation Date2026-03-31 22:03:47 UTC
Update Date2026-08-28 15:11:24 UTC
Accession NumberCHEM058331
Identification
Common Name1H,4H-3a,8a-Epoxy-4,7-methanoazulene, hexahydro-1,4,10,10-tetramethyl-
ClassSmall Molecule
Description
1H,4H-3a,8a-Epoxy-4,7-methanoazulene, hexahydro-1,4,10,10-tetramethyl- belongs to the oxepanes, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C15H24O1 and an average molecular weight of 220.36 g/mol. It has been identified in one recorded source: indoor air, dust, and atmospheric transport. The recorded route of exposure for this substance is inhalation.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H24O1
Average Molecular Mass220.356 g/mol
Monoisotopic Mass220.183 g/mol
CAS Registry Number67710-71-8;38337-32-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1CCC23OC12CC1CCC3(C)C1(C)C
InChI IdentifierInChI=1S/C15H24O/c1-10-5-8-15-13(4)7-6-11(12(13,2)3)9-14(10,15)16-15/h10-11H,5-9H2,1-4H3
InChI KeyITGOXMFOJUVODK-UHFFFAOYSA-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
SpectraNot Available
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
8917.0Log mg/kg[5000:16000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
19Indoor airAir, dust & atmospheric transportNot Available
490Personal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structure4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5Q11128HumansPredicted (SEA)5.29375
Click to view 3D structureEukaryotic initiation factor 4A-IP60843Mus musculusPredicted (SEA)10.1982
Ferritin heavy chain structureClick to view 3D structureFerritin heavy chainP02794HumansPredicted (SEA)6.92858
Click to view 3D structureAcidic phospholipase A2 2P15445Naja najaPredicted (SEA)13.3901
Click to view 3D structureSerine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoformQ76MZ3Mus musculusPredicted (SEA)11.6774
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)6251.84
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)5088.77
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)5347.7
Click to view 3D structureAbscisic acid 8'-hydroxylase 3Q9FH76Arabidopsis thalianaPredicted (SEA)24.6782
Click to view 3D structure3-dehydroquinate synthaseP07639Escherichia coli K-12Predicted (SEA)23.0434
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)7255.63
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)4777.76
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7771.22
Phospholipase A2, membrane associated structureClick to view 3D structurePhospholipase A2, membrane associatedP14555HumansPredicted (SEA)6284.85
Bile acid receptor structureClick to view 3D structureBile acid receptorQ96RI1HumansPredicted (SEA)7237.72
Click to view 3D structureGamma-aminobutyric acid receptor subunit alpha-4P28471Rattus norvegicusPredicted (SEA)84.4664
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)925.783
11-beta-hydroxysteroid dehydrogenase 1 structureClick to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P28845HumansPredicted (SEA)7124.29
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)958.402
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)7493.61
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)7718.91
Click to view 3D structureRyanodine receptor 2Q8WN72Canis lupus familiarisPredicted (SEA)236.428
Click to view 3D structureRyanodine receptor 3A2AGL3Mus musculusPredicted (SEA)236.428
Click to view 3D structureGamma-aminobutyric acid type B receptor subunit 1Q9Z0U4Rattus norvegicusPredicted (SEA)715.824
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)5881.66
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available