[(7z)-1,1,4a,8-tetramethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-methylbut-2-enoate (CED0299068)

Record Information
Version1.0
Creation Date2026-08-31 12:52:40 UTC
Update Date2026-08-31 12:52:40 UTC
SynCED IDCED0299068
Secondary Accession Numbers
  • CHEM344633
Identification
Common Name[(7z)-1,1,4a,8-tetramethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-methylbut-2-enoate
ClassSmall Molecule
Description
[(7z)-1,1,4a,8-tetramethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-methylbut-2-enoate is a chemical compound with the formula C28H43NO5 and an average molecular weight of 473.60 g/mol. It has been identified in or released from one recorded source, which is electrical and electronic equipment, specifically sparking plugs.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC28H43NO5
Average Molecular MassNot Available
Monoisotopic Mass473.314 g/mol
CAS Registry Number1748-19-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1C2C(CCC1=CC(=O)OCCNC)C3(CCC(C(C3CC2=O)(C)C)OC(=O)C=C(C)C)C
InChI IdentifierInChI=1S/C28H43NO5/c1-17(2)14-25(32)34-23-10-11-28(6)20-9-8-19(15-24(31)33-13-12-29-7)18(3)26(20)21(30)16-22(28)27(23,4)5/h14-15,18,20,22-23,26,29H,8-13,16H2,1-7H3/b19-15-
InChI KeyKQPMUAVPQFOWOM-CYVLTUHYSA-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
2474.0 Log mg/kg [1400:4400]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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentNot Available
CEDs000533Sparking Plugs?Spark plugs are critical components in internal combustion engines, facilitating the ignition of fuel-air mixtures by generating a spark.Electrical & Electronic EquipmentNot Available
CEDs000620Card Games?Card games often utilize synthetic materials for playing cards and associated gaming equipment, which may contain various chemicals such as polyvinyl chloride (PVC), plastics, and dyes.Recreation & sports surfacesNot Available
CEDs000634Buckles?Buckles, commonly used as fasteners in clothing, accessories, and furniture, can be a source of synthetic chemical contamination due to the materials and coatings employed in their production.Textiles, leather & furnishingsNot Available
CEDs000704Blotters?Blotters are absorbent paper products commonly used in various applications, including ink absorption, oil removal, and moisture control.Paper, pulp & fiber productsNot Available
CEDs000707Books?Books can be a source of synthetic chemical contamination due to the use of various chemicals in their production and preservation processes.Paper, pulp & fiber productsNot Available
CEDs000714Embossing Machines?Embossing machines are industrial devices used to create raised patterns or designs on materials, including paper and fiber products.Paper, pulp & fiber productsNot Available
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot 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 structureTransient receptor potential cation channel subfamily M member 2E9PTA2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.228 Low confidence
Statistical Significance
5.10e-04
Supporting Reference Compounds
1
E-value
3.97031
Click to view 3D structure11-beta-hydroxysteroid dehydrogenase type 2P80365HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.242 Low confidence
Statistical Significance
0.0051
Supporting Reference Compounds
32
E-value
40.0924
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.23 Low confidence
Statistical Significance
0.1564
Supporting Reference Compounds
197
E-value
1217.25
11-beta-hydroxysteroid dehydrogenase 1 structureClick to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P28845HumansPredicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.242 Low confidence
Statistical Significance
0.0427
Supporting Reference Compounds
76
E-value
332.26
Click to view 3D structureAdenylate cyclase type 1P19754Bos taurusPredicted (SEA)
Prediction Confidence Score
0.219
Applicability Domain
0.24 Low confidence
Statistical Significance
1.50e-04
Supporting Reference Compounds
5
E-value
1.16774
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.239 Low confidence
Statistical Significance
0.1617
Supporting Reference Compounds
146
E-value
1258.67
Androgen receptor structureClick to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.239 Low confidence
Statistical Significance
0.0331
Supporting Reference Compounds
73
E-value
257.914
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.242 Low confidence
Statistical Significance
0.1281
Supporting Reference Compounds
154
E-value
997.638
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.226 Low confidence
Statistical Significance
0.0067
Supporting Reference Compounds
33
E-value
52.3147
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.22 Low confidence
Statistical Significance
0.0632
Supporting Reference Compounds
54
E-value
492.163
Androgen receptor structureClick to view 3D structureAndrogen receptorP19091Mus musculusPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.239 Low confidence
Statistical Significance
0.0115
Supporting Reference Compounds
19
E-value
89.2931
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.213 Low confidence
Statistical Significance
0.0051
Supporting Reference Compounds
21
E-value
39.6253
Click to view 3D structureGlucose-6-phosphate 1-dehydrogenaseQ9GRG7Trypanosoma bruceiPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.21 Low confidence
Statistical Significance
0.0031
Supporting Reference Compounds
2
E-value
23.8219
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.213 Low confidence
Statistical Significance
0.0099
Supporting Reference Compounds
40
E-value
76.915
Vitamin D3 receptor structureClick to view 3D structureVitamin D3 receptorP11473HumansPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.216 Low confidence
Statistical Significance
0.1145
Supporting Reference Compounds
41
E-value
891.763
Steroid 17-alpha-hydroxylase/17,20 lyase structureClick to view 3D structureSteroid 17-alpha-hydroxylase/17,20 lyaseP05093HumansPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.239 Low confidence
Statistical Significance
0.0677
Supporting Reference Compounds
69
E-value
527.428
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.201
Applicability Domain
0.212 Low confidence
Statistical Significance
0.339
Supporting Reference Compounds
201
E-value
2638.85
Click to view 3D structureATP-dependent clpX-like chaperone, mitochondrialO76031HumansPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0023
Supporting Reference Compounds
1
E-value
17.8275
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.213 Low confidence
Statistical Significance
0.309
Supporting Reference Compounds
119
E-value
2405.85
Click to view 3D structureSolute carrier organic anion transporter family member 1B2Q9QZX8Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.198 Low confidence
Statistical Significance
9.90e-04
Supporting Reference Compounds
1
E-value
7.70707
Mineralocorticoid receptor structureClick to view 3D structureMineralocorticoid receptorP08235HumansPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.213 Low confidence
Statistical Significance
0.1628
Supporting Reference Compounds
74
E-value
1267.23
3-oxo-5-alpha-steroid 4-dehydrogenase 2 structureClick to view 3D structure3-oxo-5-alpha-steroid 4-dehydrogenase 2P31213HumansPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.207 Low confidence
Statistical Significance
0.0107
Supporting Reference Compounds
19
E-value
82.9873
Click to view 3D structureVitamin D3 receptorO42392Gallus gallusPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.202 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
2
E-value
11.5995
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.22 Low confidence
Statistical Significance
0.1179
Supporting Reference Compounds
49
E-value
918.154
Tyrosine-protein phosphatase non-receptor type 2 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 2P17706HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.224 Low confidence
Statistical Significance
0.1761
Supporting Reference Compounds
60
E-value
1371.31
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available