Estetrol (CED0010446)

Record Information
Version1.0
Creation Date2026-04-05 12:02:38 UTC
Update Date2026-05-14 19:19:04 UTC
SynCED IDCED0010446
Secondary Accession Numbers
  • CHEM100947
Identification
Common NameEstetrol
ClassSmall Molecule
Description
Estetrol belongs to the estrane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the formula C18H24O4 and an average molecular weight of 304.39 g/mol. Biologically, it functions as an estrogen (PMC7491312 ). Its recorded protein targets include the estrogen receptor (ESR1) and estrogen receptor beta (ESR2), where it acts as a modulator, regulator, and agonist/agonist. In terms of health effects, estetrol is used as a treatment for prostate cancer (PMC7491312 ). The compound is found in or released from 13 recorded sources. These include healthcare, pharmaceuticals, and veterinary products, specifically hormonal contraceptives for systemic use. Other sources include food, food processing, and cookware, such as processing meats; household cleaning and consumer products, such as match receptacles or boxes; building and construction materials, including ceilings, ladders, tents or canopies; and electrical and electronic equipment, including colour television systems, electric switches, emergency protective devices, magnets, power cables, and two additional sources. The recorded exposure route for this compound is oral.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC18H24O4
Average Molecular Mass304.386 g/mol
Monoisotopic Mass304.167 g/mol
CAS Registry Number15183-37-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O
InChI IdentifierInChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1
InChI KeyAJIPIJNNOJSSQC-NYLIRDPKSA-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 Roles
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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0179000000-9f556f32fd03c9144396Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0670-0492000000-b34d5ef82e476e276b72Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ldj-2970000000-f2fe3423502f5b1495aaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0029000000-7ffa4e4c6b7ea7e01d79Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0098000000-ef8a30cdd57b2995ec35Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01pc-0190000000-4342a0f9fa8f2aee4cb6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0019000000-48979cf25a541d4b1c9fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0cdi-0193000000-f46f478c7a2dc36a5190Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9860000000-0dd37ab96f472bb44219Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0019000000-287932ba4ceb14cc779dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udr-0096000000-977c145e7db6a46acb2aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03kc-2690000000-43966bb88b4fb0e5215bNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
5524.0 Log mg/kg [3100:9800]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
hypertensionAssociated With?Not AvailableA disorder characterized by a pathological increase in blood pressure; a repeatedly elevation in the blood pressure exceeding 140 over 90 mm Hg. (NCI CTCAE)PMC10852998
endometrial cancerHas Therapeutic Effect OnNot AvailableA uterine cancer that is located in tissues lining the uterus. (DO)PMC7491312
Prostate cancerNot AvailableNot AvailableA male reproductive organ cancer that is located in the prostate. (DO)PMC7491312
pre-eclampsiaDecreased in Blood InNot AvailableNot AvailablePMC5581466
Exposure Sources
Source IDSourceSectorReference
CEDs000317Hormonal contraceptives for systemic use?Hormonal contraceptives for systemic use are synthetic compounds designed to regulate reproductive functions by altering hormonal levels in the body.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000495Ceilings?Ceilings in built environments can be a source of synthetic chemical contamination due to the materials used in their construction and finishes.Building & ConstructionPubChem
CEDs000498Ladders?Ladders, commonly used in various construction and maintenance activities, can become a source of synthetic chemical contamination due to the materials and coatings applied during their manufacture and use.Building & ConstructionPubChem
CEDs000503Tents Or Canopies?Tents and canopies used in various applications can be a source of synthetic chemical contamination primarily due to the materials from which they are made.Building & ConstructionPubChem
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
CEDs000520Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.Electrical & Electronic EquipmentPubChem
CEDs000527Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.Electrical & Electronic EquipmentPubChem
CEDs000529Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.Electrical & Electronic EquipmentPubChem
CEDs000531Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
CEDs000558Match Receptables Or Boxes?Match receptacles or boxes, commonly used for storing matches, can be a source of synthetic chemical contamination due to the materials used in their construction and the chemicals involved in match production.Household cleaning & consumer productsPubChem
CEDs000578Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.Industrial manufacturing & chemical processingPubChem
CEDs000592Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.Marine, shipping & aquaculturePubChem
CEDs000598Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.Agriculture & land managementPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000653Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.Textiles, leather & furnishingsPubChem
CEDs000654Sleeve Links?Sleeve links are components typically used in the manufacturing of garments and accessories, particularly in the production of high-quality clothing items.Textiles, leather & furnishingsPubChem
CEDs000694Cheese Making?Cheese making involves the fermentation of milk, utilizing bacteria and enzymes to coagulate proteins and develop flavor.Food, food processing & cookwarePubChem
CEDs000699Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.Mining & metal processingPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
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
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)
Prediction Confidence Score
0.574
Applicability Domain
0.674
Statistical Significance
7.00e-05
Supporting Reference Compounds
33
E-value
0.544945
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.574
Applicability Domain
0.674
Statistical Significance
2.80e-04
Supporting Reference Compounds
201
E-value
2.17978
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.572
Applicability Domain
0.674
Statistical Significance
0.0011
Supporting Reference Compounds
593
E-value
8.25202
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.568
Applicability Domain
0.674
Statistical Significance
1.70e-04
Supporting Reference Compounds
174
E-value
1.32344
Androgen receptor structureClick to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.538
Applicability Domain
0.674
Statistical Significance
3.00e-04
Supporting Reference Compounds
73
E-value
2.33548
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)
Prediction Confidence Score
0.497
Applicability Domain
0.674
Statistical Significance
1.30e-04
Supporting Reference Compounds
40
E-value
1.01204
Click to view 3D structureSolute carrier organic anion transporter family member 1A1P46720Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.492
Applicability Domain
0.674
Statistical Significance
6.00e-05
Supporting Reference Compounds
10
E-value
0.467095
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)
Prediction Confidence Score
0.49
Applicability Domain
0.674
Statistical Significance
2.70e-04
Supporting Reference Compounds
21
E-value
2.10193
17-beta-hydroxysteroid dehydrogenase type 1 structureClick to view 3D structure17-beta-hydroxysteroid dehydrogenase type 1P14061HumansPredicted (SEA)
Prediction Confidence Score
0.489
Applicability Domain
0.571
Statistical Significance
2.40e-04
Supporting Reference Compounds
42
E-value
1.86838
Steryl-sulfatase structureClick to view 3D structureSteryl-sulfataseP08842HumansPredicted (SEA)
Prediction Confidence Score
0.441
Applicability Domain
0.554
Statistical Significance
1.20e-04
Supporting Reference Compounds
14
E-value
0.934191
Polyunsaturated fatty acid lipoxygenase ALOX15 structureClick to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.429
Applicability Domain
0.66
Statistical Significance
7.00e-05
Supporting Reference Compounds
47
E-value
0.544945
Click to view 3D structureEstrogen sulfotransferaseQ95MF8Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.407
Applicability Domain
0.407
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.386
Applicability Domain
0.536
Statistical Significance
0.0094
Supporting Reference Compounds
472
E-value
73.1004
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)
Prediction Confidence Score
0.382
Applicability Domain
0.674
Statistical Significance
0.0012
Supporting Reference Compounds
49
E-value
9.26406
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)
Prediction Confidence Score
0.377
Applicability Domain
0.528
Statistical Significance
0.0027
Supporting Reference Compounds
154
E-value
21.0193
Click to view 3D structureSolute carrier family 22 member 3O88446Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.674
Statistical Significance
1.60e-04
Supporting Reference Compounds
3
E-value
1.24559
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)
Prediction Confidence Score
0.365
Applicability Domain
0.571
Statistical Significance
0.0031
Supporting Reference Compounds
127
E-value
23.9776
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.674
Statistical Significance
0.0042
Supporting Reference Compounds
146
E-value
32.7745
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansPredicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.674
Statistical Significance
0.0014
Supporting Reference Compounds
150
E-value
10.6653
Sulfotransferase 1A1 structureClick to view 3D structureSulfotransferase 1A1P50225HumansPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.674
Statistical Significance
3.00e-05
Supporting Reference Compounds
5
E-value
0.233548
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.571
Statistical Significance
0.0223
Supporting Reference Compounds
686
E-value
173.448
Aldehyde oxidase structureClick to view 3D structureAldehyde oxidaseQ06278HumansPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.674
Statistical Significance
4.00e-05
Supporting Reference Compounds
14
E-value
0.311397
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.528
Statistical Significance
0.0182
Supporting Reference Compounds
451
E-value
141.452
Solute carrier family 22 member 1 structureClick to view 3D structureSolute carrier family 22 member 1O15245HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.674
Statistical Significance
2.30e-04
Supporting Reference Compounds
30
E-value
1.79053
Click to view 3D structureEstrogen receptorP06211Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.674
Statistical Significance
8.00e-05
Supporting Reference Compounds
10
E-value
0.622794
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available