[[(Dibromo-o-tolyl)oxy]methyl]oxirane (CED0165241)

Record Information
Version1.0
Creation Date2026-04-05 03:21:49 UTC
Update Date2026-04-05 03:21:49 UTC
SynCED IDCED0165241
Secondary Accession Numbers
  • CHEM091323
Identification
Common Name[[(Dibromo-o-tolyl)oxy]methyl]oxirane
ClassSmall Molecule
Description
[[(Dibromo-o-tolyl)oxy]methyl]oxirane belongs to the phenol ethers, a class of benzenoids within the organic compounds. The compound is characterized by the chemical formula C10H10Br2O2.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H10Br2O2
Average Molecular MassNot Available
Monoisotopic Mass319.905 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C10H10Br2O2/c1-6-9(14-5-7-4-13-7)3-2-8(11)10(6)12/h2-3,7H,4-5H2,1H3
InChI KeyCUFZQQZUROXYRX-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
606.0 Log mg/kg [340:1100]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000655Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.Textiles, leather & furnishingsPubChem
CEDs000658Touch Fasteners?Touch fasteners, commonly known as hook-and-loop fasteners, are composed of synthetic materials such as nylon or polyester.Textiles, leather & furnishingsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Bis(5'-adenosyl)-triphosphatase structureClick to view 3D structureBis(5'-adenosyl)-triphosphataseP49789HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.271 Low confidence
Statistical Significance
6.00e-04
Supporting Reference Compounds
1
E-value
4.67095
Click to view 3D structure5-hydroxytryptamine receptor 2BQ02152Mus musculusPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.254 Low confidence
Statistical Significance
0.0106
Supporting Reference Compounds
20
E-value
82.6759
Click to view 3D structure5-hydroxytryptamine receptor 1AQ64264Mus musculusPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0492
Supporting Reference Compounds
52
E-value
382.707
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.32
Statistical Significance
0.444
Supporting Reference Compounds
506
E-value
3456.35
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.32
Statistical Significance
0.3817
Supporting Reference Compounds
451
E-value
2971.27
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.234 Low confidence
Statistical Significance
0.558
Supporting Reference Compounds
953
E-value
4343.75
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.375
Statistical Significance
0.1216
Supporting Reference Compounds
146
E-value
947.036
Vitamin D3 receptor structureClick to view 3D structureVitamin D3 receptorP11473HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.375
Statistical Significance
0.0521
Supporting Reference Compounds
41
E-value
405.828
Click to view 3D structureD(1A) dopamine receptorQ61616Mus musculusPredicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.233 Low confidence
Statistical Significance
0.0367
Supporting Reference Compounds
33
E-value
285.707
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.26 Low confidence
Statistical Significance
0.7444
Supporting Reference Compounds
1301
E-value
5794.94
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.232 Low confidence
Statistical Significance
0.6524
Supporting Reference Compounds
955
E-value
5078.57
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP51436Mus musculusPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.239 Low confidence
Statistical Significance
0.0182
Supporting Reference Compounds
16
E-value
141.919
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.26 Low confidence
Statistical Significance
0.7758
Supporting Reference Compounds
1660
E-value
6039.7
Ephrin type-A receptor 2 structureClick to view 3D structureEphrin type-A receptor 2P29317HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.26 Low confidence
Statistical Significance
0.6285
Supporting Reference Compounds
611
E-value
4893.21
Ephrin type-B receptor 4 structureClick to view 3D structureEphrin type-B receptor 4P54760HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.26 Low confidence
Statistical Significance
0.3683
Supporting Reference Compounds
259
E-value
2867.34
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.234 Low confidence
Statistical Significance
0.665
Supporting Reference Compounds
1103
E-value
5176.66
Click to view 3D structureAlpha-1D adrenergic receptorP97714Mus musculusPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.25 Low confidence
Statistical Significance
0.011
Supporting Reference Compounds
7
E-value
86.0234
Chloride anion exchanger structureClick to view 3D structureChloride anion exchangerP40879HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.227 Low confidence
Statistical Significance
0.0122
Supporting Reference Compounds
2
E-value
94.8204
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.219 Low confidence
Statistical Significance
0.5007
Supporting Reference Compounds
541
E-value
3897.75
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.232 Low confidence
Statistical Significance
0.4236
Supporting Reference Compounds
380
E-value
3297.93
Click to view 3D structureNorepinephrine transporterQ9WTR4Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.32
Statistical Significance
0.1286
Supporting Reference Compounds
112
E-value
1001.06
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.217 Low confidence
Statistical Significance
0.4847
Supporting Reference Compounds
376
E-value
3773.04
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.213 Low confidence
Statistical Significance
0.3862
Supporting Reference Compounds
258
E-value
3006.46
Click to view 3D structureAlpha-1B adrenergic receptorP35368HumansPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.213 Low confidence
Statistical Significance
0.4538
Supporting Reference Compounds
298
E-value
3532.49
Click to view 3D structureD(3) dopamine receptorP30728Mus musculusPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.254 Low confidence
Statistical Significance
0.0083
Supporting Reference Compounds
6
E-value
64.9263
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available