1-[4-(4-Propylcyclohexyl)phenyl]ethanone (CED0185603)

Record Information
Version1.0
Creation Date2026-04-05 16:50:25 UTC
Update Date2026-05-20 18:30:33 UTC
SynCED IDCED0185603
Secondary Accession Numbers
  • CHEM104678
Identification
Common Name1-[4-(4-Propylcyclohexyl)phenyl]ethanone
ClassSmall Molecule
Description
1-[4-(4-Propylcyclohexyl)phenyl]ethanone is an organic compound with the formula C17H24O and an average molecular weight of 244.38 g/mol. 1-[4-(4-Propylcyclohexyl)phenyl]ethanone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance has been found in or released from drinking water and water supply sources. The recorded route of exposure for this compound is oral.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC17H24O
Average Molecular Mass244.378 g/mol
Monoisotopic Mass244.183 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCC1CCC(CC1)C1=CC=C(C=C1)C(C)=O
InChI IdentifierInChI=1S/C17H24O/c1-3-4-14-5-7-16(8-6-14)17-11-9-15(10-12-17)13(2)18/h9-12,14,16H,3-8H2,1-2H3
InChI KeyUWGGZNZTKLZDNU-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 ValuesNot 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
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
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 structureO-acyltransferaseA0A8I3N393Canis lupus familiarisPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.339
Statistical Significance
1.70e-04
Supporting Reference Compounds
1
E-value
1.32344
Diacylglycerol O-acyltransferase 1 structureClick to view 3D structureDiacylglycerol O-acyltransferase 1O75907HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.339
Statistical Significance
0.0023
Supporting Reference Compounds
44
E-value
17.8275
Click to view 3D structureDiacylglycerol O-acyltransferase 1Q9Z2A7Mus musculusPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.339
Statistical Significance
0.0011
Supporting Reference Compounds
19
E-value
8.95266
Sterol O-acyltransferase 2 structureClick to view 3D structureSterol O-acyltransferase 2O75908HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.339
Statistical Significance
9.00e-04
Supporting Reference Compounds
19
E-value
7.00643
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.318
Statistical Significance
0.1287
Supporting Reference Compounds
1103
E-value
1001.61
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.306
Statistical Significance
0.302
Supporting Reference Compounds
1498
E-value
2350.81
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.296 Low confidence
Statistical Significance
0.2694
Supporting Reference Compounds
1245
E-value
2097.26
Click to view 3D structureChemokine receptorQ9MYJ9Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.271 Low confidence
Statistical Significance
0.0068
Supporting Reference Compounds
1
E-value
52.7818
Click to view 3D structureDiacylglycerol O-acyltransferase 2Q96PD7HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.339
Statistical Significance
0.0013
Supporting Reference Compounds
24
E-value
10.5096
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0653
Supporting Reference Compounds
294
E-value
508.278
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.281 Low confidence
Statistical Significance
0.1603
Supporting Reference Compounds
861
E-value
1248.23
Click to view 3D structureDiacylglycerol O-acyltransferase 1Q9ERM3Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.339
Statistical Significance
3.90e-04
Supporting Reference Compounds
8
E-value
3.03612
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.275 Low confidence
Statistical Significance
0.1485
Supporting Reference Compounds
562
E-value
1155.83
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0982
Supporting Reference Compounds
425
E-value
764.557
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.313
Statistical Significance
0.0573
Supporting Reference Compounds
207
E-value
445.92
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.281 Low confidence
Statistical Significance
0.1559
Supporting Reference Compounds
524
E-value
1213.98
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.283 Low confidence
Statistical Significance
0.1356
Supporting Reference Compounds
528
E-value
1055.48
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.281 Low confidence
Statistical Significance
0.2089
Supporting Reference Compounds
953
E-value
1626.58
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.281 Low confidence
Statistical Significance
0.1516
Supporting Reference Compounds
507
E-value
1179.96
Low-density lipoprotein receptor structureClick to view 3D structureLow-density lipoprotein receptorP01130HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.258 Low confidence
Statistical Significance
0.0047
Supporting Reference Compounds
1
E-value
36.5113
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.29 Low confidence
Statistical Significance
0.2809
Supporting Reference Compounds
825
E-value
2186.63
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.29 Low confidence
Statistical Significance
0.3784
Supporting Reference Compounds
1130
E-value
2946.13
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0756
Supporting Reference Compounds
200
E-value
588.54
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.313
Statistical Significance
0.0573
Supporting Reference Compounds
203
E-value
446.232
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.255 Low confidence
Statistical Significance
0.0122
Supporting Reference Compounds
1
E-value
95.2096
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available