1-(6-Methoxy-1-naphthyl)ethan-1-one (CED0158983)

Record Information
Version1.0
Creation Date2026-04-04 06:00:11 UTC
Update Date2026-05-20 19:04:45 UTC
SynCED IDCED0158983
Secondary Accession Numbers
  • CHEM072110
Identification
Common Name1-(6-Methoxy-1-naphthyl)ethan-1-one
ClassSmall Molecule
Description
1-(6-Methoxy-1-naphthyl)ethan-1-one belongs to the naphthalenes, a class of benzenoids within the organic compounds. This compound has the chemical formula C13H12O2 and an average molecular weight of 200.24 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 FormulaC13H12O2
Average Molecular Mass200.237 g/mol
Monoisotopic Mass200.084 g/mol
CAS Registry Number58149-89-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=CC2=C(C=C1)C(=CC=C2)C(C)=O
InChI IdentifierInChI=1S/C13H12O2/c1-9(14)12-5-3-4-10-8-11(15-2)6-7-13(10)12/h3-8H,1-2H3
InChI KeyWMGUVQVDQWMMBL-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
2620.0 Log mg/kg [1500:4700]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
CEDs000019Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.Air, dust & atmospheric transportNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.437
Applicability Domain
0.456
Statistical Significance
0.024
Supporting Reference Compounds
1660
E-value
186.838
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)
Prediction Confidence Score
0.434
Applicability Domain
0.456
Statistical Significance
0.0142
Supporting Reference Compounds
996
E-value
110.312
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.423
Applicability Domain
0.453
Statistical Significance
0.02
Supporting Reference Compounds
1130
E-value
155.854
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)
Prediction Confidence Score
0.42
Applicability Domain
0.453
Statistical Significance
0.0157
Supporting Reference Compounds
1017
E-value
122.145
Angiopoietin-1 receptor structureClick to view 3D structureAngiopoietin-1 receptorQ02763HumansPredicted (SEA)
Prediction Confidence Score
0.411
Applicability Domain
0.456
Statistical Significance
0.0075
Supporting Reference Compounds
285
E-value
58.3869
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)
Prediction Confidence Score
0.402
Applicability Domain
0.453
Statistical Significance
0.0179
Supporting Reference Compounds
934
E-value
139.117
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.391
Applicability Domain
0.415
Statistical Significance
9.90e-04
Supporting Reference Compounds
57
E-value
7.70707
Tyrosine-protein kinase Lyn structureClick to view 3D structureTyrosine-protein kinase LynP07948HumansPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.453
Statistical Significance
0.0208
Supporting Reference Compounds
666
E-value
162.238
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.378
Applicability Domain
0.415
Statistical Significance
0.0019
Supporting Reference Compounds
136
E-value
15.1027
Vascular endothelial growth factor receptor 1 structureClick to view 3D structureVascular endothelial growth factor receptor 1P17948HumansPredicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
0.41
Statistical Significance
0.0245
Supporting Reference Compounds
711
E-value
191.042
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.405
Statistical Significance
0.0011
Supporting Reference Compounds
40
E-value
8.87481
Melatonin receptor type 1A structureClick to view 3D structureMelatonin receptor type 1AP48039HumansPredicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.4
Statistical Significance
6.50e-04
Supporting Reference Compounds
26
E-value
5.0602
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.365
Applicability Domain
0.4
Statistical Significance
0.0113
Supporting Reference Compounds
407
E-value
87.6582
Tyrosine-protein kinase ABL1 structureClick to view 3D structureTyrosine-protein kinase ABL1P00519HumansPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.453
Statistical Significance
0.0354
Supporting Reference Compounds
927
E-value
275.586
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.4
Statistical Significance
0.0103
Supporting Reference Compounds
372
E-value
80.3404
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.4
Statistical Significance
0.01
Supporting Reference Compounds
332
E-value
78.0049
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.4
Statistical Significance
0.0049
Supporting Reference Compounds
172
E-value
38.3797
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.4
Statistical Significance
0.0025
Supporting Reference Compounds
78
E-value
19.3066
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.4
Statistical Significance
0.0019
Supporting Reference Compounds
70
E-value
14.8692
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.429
Statistical Significance
0.019
Supporting Reference Compounds
793
E-value
147.68
Vascular endothelial growth factor receptor 3 structureClick to view 3D structureVascular endothelial growth factor receptor 3P35916HumansPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.41
Statistical Significance
0.0258
Supporting Reference Compounds
687
E-value
200.695
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.41
Statistical Significance
0.0281
Supporting Reference Compounds
597
E-value
218.99
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.4
Statistical Significance
0.002
Supporting Reference Compounds
118
E-value
15.492
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.388
Statistical Significance
0.0353
Supporting Reference Compounds
906
E-value
274.574
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.349
Applicability Domain
0.424
Statistical Significance
0.0553
Supporting Reference Compounds
1538
E-value
430.273
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available