(3s,8r,9s,10r,13s,14s)-3-[2-(dimethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one (CED0169775)

Record Information
Version1.0
Creation Date2026-08-22 02:09:41 UTC
Update Date2026-08-22 02:09:41 UTC
SynCED IDCED0169775
Secondary Accession Numbers
  • CHEM207813
Identification
Common Name(3s,8r,9s,10r,13s,14s)-3-[2-(dimethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
ClassSmall Molecule
Description
(3s,8r,9s,10r,13s,14s)-3-[2-(dimethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one belongs to the androstane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the chemical formula C23H37NO2 and an average molecular weight of 359.50 g/mol. It is classified as a lipid and lipid-like molecule. The substance has been identified in or released from three recorded sources, specifically electrical and electronic equipment such as relays, amplifiers, and colour television systems.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC23H37NO2
Average Molecular Mass359.500 g/mol
Monoisotopic Mass359.282 g/mol
CAS Registry Number7635-03-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C23H37NO2/c1-22-11-9-17(26-14-13-24(3)4)15-16(22)5-6-18-19-7-8-21(25)23(19,2)12-10-20(18)22/h5,17-20H,6-15H2,1-4H3/t17-,18-,19-,20-,22-,23-/m0/s1
InChI KeyRGEMJCLUPGZKTQ-WAUHAFJUSA-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
1523.0 Log mg/kg [860:2700]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
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentPubChem
CEDs000509Colour Television Systems?Colour television systems contain various synthetic chemicals that can lead to environmental contamination.Electrical & Electronic EquipmentPubChem
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 EquipmentPubChem
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentPubChem
CEDs000531Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.Electrical & Electronic EquipmentPubChem
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000640Embroidering And Tufting?Embroidering and tufting processes often involve the use of synthetic chemicals such as dyes, adhesives, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000647Multicolour Dyeing?Multicolour dyeing involves the application of multiple synthetic dyes to textiles and other materials to achieve vibrant, diverse color patterns.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000694Cheese Making?Cheese making involves the fermentation of milk, utilizing bacteria and enzymes to coagulate proteins and develop flavor.Food, food processing & cookwarePubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
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 structureGlucose-6-phosphate 1-dehydrogenaseQ9GRG7Trypanosoma bruceiPredicted (SEA)
Prediction Confidence Score
0.47
Applicability Domain
0.585
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)
Prediction Confidence Score
0.43
Applicability Domain
0.585
Statistical Significance
6.90e-04
Supporting Reference Compounds
33
E-value
5.3716
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)
Prediction Confidence Score
0.43
Applicability Domain
0.585
Statistical Significance
5.60e-04
Supporting Reference Compounds
21
E-value
4.35956
NPC1-like intracellular cholesterol transporter 1 structureClick to view 3D structureNPC1-like intracellular cholesterol transporter 1Q9UHC9HumansPredicted (SEA)
Prediction Confidence Score
0.403
Applicability Domain
0.585
Statistical Significance
2.60e-04
Supporting Reference Compounds
13
E-value
2.02408
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.585
Statistical Significance
0.0024
Supporting Reference Compounds
54
E-value
19.0731
Androgen receptor structureClick to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.421
Statistical Significance
0.002
Supporting Reference Compounds
73
E-value
15.5698
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.421
Statistical Significance
0.0031
Supporting Reference Compounds
127
E-value
23.8219
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.384
Statistical Significance
0.0037
Supporting Reference Compounds
76
E-value
28.8821
Steroid 17-alpha-hydroxylase/17,20 lyase structureClick to view 3D structureSteroid 17-alpha-hydroxylase/17,20 lyaseP05093HumansPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.381
Statistical Significance
0.0013
Supporting Reference Compounds
69
E-value
10.4318
Oxysterol-binding protein 1 structureClick to view 3D structureOxysterol-binding protein 1P22059HumansPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.352
Statistical Significance
4.00e-04
Supporting Reference Compounds
9
E-value
3.11397
Click to view 3D structureOxysterol-binding protein 2Q969R2HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.352
Statistical Significance
3.70e-04
Supporting Reference Compounds
7
E-value
2.88042
Click to view 3D structureSteroid 17-alpha-hydroxylase/17,20 lyaseP11715Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.381
Statistical Significance
8.80e-04
Supporting Reference Compounds
23
E-value
6.85073
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.4
Statistical Significance
0.0077
Supporting Reference Compounds
201
E-value
60.3331
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.4
Statistical Significance
0.0056
Supporting Reference Compounds
174
E-value
43.5956
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.4
Statistical Significance
0.006
Supporting Reference Compounds
146
E-value
47.0209
Click to view 3D structureSulfotransferase 1E1P19217Bos taurusPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.324
Statistical Significance
2.70e-04
Supporting Reference Compounds
1
E-value
2.10193
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.352
Statistical Significance
0.0066
Supporting Reference Compounds
102
E-value
51.614
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.352
Statistical Significance
0.0057
Supporting Reference Compounds
154
E-value
44.1405
Steroid 21-hydroxylase structureClick to view 3D structureSteroid 21-hydroxylaseP08686HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.354
Statistical Significance
0.001
Supporting Reference Compounds
26
E-value
8.01847
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.344
Statistical Significance
0.0021
Supporting Reference Compounds
40
E-value
16.5819
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.367
Statistical Significance
0.0047
Supporting Reference Compounds
49
E-value
36.9784
Click to view 3D structureOxysterols receptor LXR-betaQ62755Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.384
Statistical Significance
3.70e-04
Supporting Reference Compounds
4
E-value
2.88042
3-oxo-5-alpha-steroid 4-dehydrogenase 2 structureClick to view 3D structure3-oxo-5-alpha-steroid 4-dehydrogenase 2P31213HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.381
Statistical Significance
0.0011
Supporting Reference Compounds
19
E-value
8.79696
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.352
Statistical Significance
0.0723
Supporting Reference Compounds
562
E-value
563.239
17-beta-hydroxysteroid dehydrogenase type 1 structureClick to view 3D structure17-beta-hydroxysteroid dehydrogenase type 1P14061HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.344
Statistical Significance
0.0034
Supporting Reference Compounds
42
E-value
26.2352
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available