4-(3-chloro-4-cyclohexylphenyl)-1-morpholin-4-ylbutan-1-one (CED0274799)

Record Information
Version1.0
Creation Date2026-08-30 01:06:49 UTC
Update Date2026-08-30 01:06:49 UTC
SynCED IDCED0274799
Secondary Accession Numbers
  • CHEM320034
Identification
Common Name4-(3-chloro-4-cyclohexylphenyl)-1-morpholin-4-ylbutan-1-one
ClassSmall Molecule
Description
4-(3-chloro-4-cyclohexylphenyl)-1-morpholin-4-ylbutan-1-one is a chemical compound with the formula C20H28ClNO2. It has an average molecular weight of 349.90 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H28ClNO2
Average Molecular MassNot Available
Monoisotopic Mass349.181 g/mol
CAS Registry Number32808-74-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1CCC(CC1)C2=C(C=C(C=C2)CCCC(=O)N3CCOCC3)Cl
InChI IdentifierInChI=1S/C20H28ClNO2/c21-19-15-16(9-10-18(19)17-6-2-1-3-7-17)5-4-8-20(23)22-11-13-24-14-12-22/h9-10,15,17H,1-8,11-14H2
InChI KeyGCECPNQPPJYYOR-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
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.349
Statistical Significance
0.0424
Supporting Reference Compounds
532
E-value
330.081
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.349
Statistical Significance
0.0389
Supporting Reference Compounds
562
E-value
302.678
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.313
Statistical Significance
0.0347
Supporting Reference Compounds
199
E-value
270.215
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.324
Statistical Significance
0.067
Supporting Reference Compounds
527
E-value
521.979
Prolyl endopeptidase structureClick to view 3D structureProlyl endopeptidaseP23687Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.349
Statistical Significance
0.0024
Supporting Reference Compounds
13
E-value
18.4503
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.338
Statistical Significance
0.0383
Supporting Reference Compounds
506
E-value
298.474
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.313
Statistical Significance
0.0381
Supporting Reference Compounds
164
E-value
296.683
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.324
Statistical Significance
0.0585
Supporting Reference Compounds
427
E-value
455.34
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.338
Statistical Significance
0.0615
Supporting Reference Compounds
524
E-value
479.006
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.313
Statistical Significance
0.0418
Supporting Reference Compounds
186
E-value
325.176
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.309
Statistical Significance
0.0418
Supporting Reference Compounds
229
E-value
325.565
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.324
Statistical Significance
0.0972
Supporting Reference Compounds
955
E-value
756.617
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.324
Statistical Significance
0.0602
Supporting Reference Compounds
507
E-value
468.886
Click to view 3D structureSigma intracellular receptor 2Q5U3Y7Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.309
Statistical Significance
0.0242
Supporting Reference Compounds
110
E-value
188.395
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.324
Statistical Significance
0.0871
Supporting Reference Compounds
823
E-value
678.067
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.338
Statistical Significance
0.0459
Supporting Reference Compounds
308
E-value
357.717
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.448
Statistical Significance
0.0103
Supporting Reference Compounds
77
E-value
80.1847
Histamine H2 receptor structureClick to view 3D structureHistamine H2 receptorP25021HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.324
Statistical Significance
0.0301
Supporting Reference Compounds
256
E-value
234.482
Click to view 3D structureKappa-type opioid receptorP33534Mus musculusPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.313
Statistical Significance
0.0234
Supporting Reference Compounds
61
E-value
182.401
N-acylethanolamine-hydrolyzing acid amidase structureClick to view 3D structureN-acylethanolamine-hydrolyzing acid amidaseQ02083HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.381
Statistical Significance
6.60e-04
Supporting Reference Compounds
15
E-value
5.13805
Click to view 3D structureAcid ceramidaseQ6P7S1Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.381
Statistical Significance
8.70e-04
Supporting Reference Compounds
10
E-value
6.77288
1-phosphatidylinositol phosphodiesterase structureClick to view 3D structure1-phosphatidylinositol phosphodiesteraseP14262Bacillus cereusPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.278 Low confidence
Statistical Significance
0.0037
Supporting Reference Compounds
1
E-value
28.6485
Potassium voltage-gated channel subfamily B member 1 structureClick to view 3D structurePotassium voltage-gated channel subfamily B member 1P15387Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.387
Statistical Significance
4.00e-05
Supporting Reference Compounds
3
E-value
0.311397
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.317
Statistical Significance
0.0937
Supporting Reference Compounds
528
E-value
729.836
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.328
Statistical Significance
0.3269
Supporting Reference Compounds
1538
E-value
2544.81
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available