(2-prop-2-enoxyphenyl) n-methylcarbamate (CED0232946)

Record Information
Version1.0
Creation Date2026-08-26 20:54:24 UTC
Update Date2026-08-26 20:54:24 UTC
SynCED IDCED0232946
Secondary Accession Numbers
  • CHEM276836
Identification
Common Name(2-prop-2-enoxyphenyl) n-methylcarbamate
ClassSmall Molecule
Description
(2-prop-2-enoxyphenyl) n-methylcarbamate belongs to the phenyl methylcarbamates, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C11H13NO3 and an average molecular weight of 207.23 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC11H13NO3
Average Molecular MassNot Available
Monoisotopic Mass207.090 g/mol
CAS Registry Number4062-99-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCNC(=O)OC1=CC=CC=C1OCC=C
InChI IdentifierInChI=1S/C11H13NO3/c1-3-8-14-9-6-4-5-7-10(9)15-11(13)12-2/h3-7H,1,8H2,2H3,(H,12,13)
InChI KeyRRCXOIBMSKRASZ-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
150.0 Log mg/kg [80:270]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
CEDs000583Anchoring Equipment?Anchoring equipment, commonly used in marine applications, can be a source of synthetic chemical contamination due to the materials and coatings utilized in their manufacturing.Marine, shipping & aquaculturePubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAcetylcholinesteraseK4JQ36Laodelphax striatellaPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.5
Statistical Significance
2.00e-05
Supporting Reference Compounds
3
E-value
0.155698
Click to view 3D structureAce-orthologous acetylcholinesteraseQ9NJH6Nephotettix cincticepsPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.5
Statistical Significance
2.00e-05
Supporting Reference Compounds
4
E-value
0.155698
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.5
Statistical Significance
0.0278
Supporting Reference Compounds
206
E-value
216.732
Transcription factor EB structureClick to view 3D structureTranscription factor EBP19484HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.289 Low confidence
Statistical Significance
0.0017
Supporting Reference Compounds
1
E-value
13.3122
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.321
Statistical Significance
0.0976
Supporting Reference Compounds
953
E-value
760.198
Click to view 3D structureAcetylcholinesteraseP23795Bos taurusPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.5
Statistical Significance
0.005
Supporting Reference Compounds
50
E-value
39.1582
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.308
Statistical Significance
0.0756
Supporting Reference Compounds
406
E-value
588.462
Click to view 3D structureAcetylcholinesteraseQ7YWJ9Musca domesticaPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.5
Statistical Significance
4.00e-05
Supporting Reference Compounds
5
E-value
0.311397
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.367
Statistical Significance
0.0322
Supporting Reference Compounds
166
E-value
250.986
Mitochondrial import inner membrane translocase subunit TIM23 structureClick to view 3D structureMitochondrial import inner membrane translocase subunit TIM23P32897Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.314
Statistical Significance
0.0169
Supporting Reference Compounds
75
E-value
131.877
Click to view 3D structureAcetylcholinesteraseP36196Gallus gallusPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.267 Low confidence
Statistical Significance
5.50e-04
Supporting Reference Compounds
1
E-value
4.28171
Mitochondrial import inner membrane translocase subunit TIM10 structureClick to view 3D structureMitochondrial import inner membrane translocase subunit TIM10P87108Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.314
Statistical Significance
0.0109
Supporting Reference Compounds
64
E-value
84.6221
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.291 Low confidence
Statistical Significance
0.1973
Supporting Reference Compounds
955
E-value
1535.81
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.291 Low confidence
Statistical Significance
0.1825
Supporting Reference Compounds
823
E-value
1420.9
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.268 Low confidence
Statistical Significance
0.0742
Supporting Reference Compounds
234
E-value
577.408
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.321
Statistical Significance
0.0583
Supporting Reference Compounds
258
E-value
454.095
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.302
Statistical Significance
0.3251
Supporting Reference Compounds
1301
E-value
2530.72
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.302
Statistical Significance
0.0902
Supporting Reference Compounds
332
E-value
702.511
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.321
Statistical Significance
0.1529
Supporting Reference Compounds
541
E-value
1190.55
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.321
Statistical Significance
0.0457
Supporting Reference Compounds
180
E-value
355.615
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.291 Low confidence
Statistical Significance
0.1368
Supporting Reference Compounds
487
E-value
1065.21
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.291 Low confidence
Statistical Significance
0.0998
Supporting Reference Compounds
386
E-value
777.247
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.302
Statistical Significance
0.0691
Supporting Reference Compounds
242
E-value
537.627
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.314
Statistical Significance
0.0858
Supporting Reference Compounds
343
E-value
668.258
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.291 Low confidence
Statistical Significance
0.1467
Supporting Reference Compounds
536
E-value
1142.2
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available