Methyl 2-hydroxy-6,6-dimethyl-4-oxo-3-[(e)-n-prop-2-enoxy-c-propylcarbonimidoyl]cyclohex-2-ene-1-carboxylate (CED0260131)

Record Information
Version1.0
Creation Date2026-08-29 03:34:26 UTC
Update Date2026-08-29 03:34:26 UTC
Accession NumberCHEM305013
Identification
Common NameMethyl 2-hydroxy-6,6-dimethyl-4-oxo-3-[(e)-n-prop-2-enoxy-c-propylcarbonimidoyl]cyclohex-2-ene-1-carboxylate
ClassSmall Molecule
Description
Methyl 2-hydroxy-6,6-dimethyl-4-oxo-3-[(e)-n-prop-2-enoxy-c-propylcarbonimidoyl]cyclohex-2-ene-1-carboxylate is a chemical compound with the formula C17H25NO5 and an average molecular weight of 323.40 g/mol. This substance has been identified in or released from one recorded source, specifically building and construction floors.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC17H25NO5
Average Molecular MassNot Available
Monoisotopic Mass323.173 g/mol
CAS Registry Number55634-91-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCC(=NOCC=C)C1=C(C(C(CC1=O)(C)C)C(=O)OC)O
InChI IdentifierInChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,14,20H,2,6,8-10H2,1,3-5H3/b18-11+
InChI KeyPNCNFDRSHBFIDM-WOJGMQOQSA-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1498.0Log mg/kg[840:2700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
497FloorsBuilding & ConstructionNot Available
597ChemosterilantsAgriculture & land managementNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)387.144
Click to view 3D structureAdenylate cyclase type 1P19754Bos taurusPredicted (SEA)2.17978
Click to view 3D structureStreptokinaseP96471Streptococcus pyogenesPredicted (SEA)117.63
Proto-oncogene vav structureClick to view 3D structureProto-oncogene vavP15498HumansPredicted (SEA)1.94623
Click to view 3D structureM-phase inducer phosphatase 2P30306Mus musculusPredicted (SEA)53.5603
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)3436.89
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)6742.21
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)5654.19
Click to view 3D structureCarnitine palmitoyltransferase 1AQ9MYX2Sus scrofaPredicted (SEA)60.9559
Transcriptional activator protein LasR structureClick to view 3D structureTranscriptional activator protein LasRP25084Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)Predicted (SEA)151.339
Solute carrier family 2, facilitated glucose transporter member 1 structureClick to view 3D structureSolute carrier family 2, facilitated glucose transporter member 1P11166HumansPredicted (SEA)4190.08
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)6314.04
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)6092.25
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)5113.14
Protein kinase C epsilon type structureClick to view 3D structureProtein kinase C epsilon typeQ02156HumansPredicted (SEA)5981.08
Platelet glycoprotein 4 structureClick to view 3D structurePlatelet glycoprotein 4P16671HumansPredicted (SEA)58.854
Click to view 3D structureDipeptidase 1P22412Sus scrofaPredicted (SEA)11.2103
Click to view 3D structureCytochrome P450 2C23P24470Rattus norvegicusPredicted (SEA)34.7208
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)7118.22
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)6775.37
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)6160.44
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)4406.58
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)3341.52
Click to view 3D structure3-oxoacyl-[acyl-carrier-protein] synthase 2Q5TKS0Staphylococcus aureusPredicted (SEA)43.8291
Protein kinase C delta type structureClick to view 3D structureProtein kinase C delta typeQ05655HumansPredicted (SEA)7426.97
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available