6Beta-Hydroxy-17beta-Ethinylestradiol (CED0150327)

Record Information
Version1.0
Creation Date2026-04-06 09:57:23 UTC
Update Date2026-05-21 12:39:04 UTC
SynCED IDCED0150327
Secondary Accession Numbers
  • CHEM122267
Identification
Common Name6Beta-Hydroxy-17beta-Ethinylestradiol
ClassSmall Molecule
Description
6Beta-Hydroxy-17beta-Ethinylestradiol belongs to the hydroxysteroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound is categorized under the superclass of lipids and lipid-like molecules. It has been identified in or released from 13 recorded sources across several sectors. In the healthcare, pharmaceuticals & veterinary products sector, it is associated with medical devices. Within the energy, oil & gas and industrial manufacturing & chemical processing sectors, it is found in lubricants. In the food, food processing & cookware sector, it is linked to food packaging. In the textiles, leather & furnishings sector, it is found in carpets, rugs, and synthetic textiles. Additionally, it is present in electrical & electronic equipment, including cell phones, capacitors, batteries, printed circuit boards, wires, and cables, as well as one other sector. Recorded routes of exposure for this compound include inhalation, oral ingestion, and touch.
Contaminant Type
  • PFAS
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaNot Available
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C21H26O3/c1-4-21(24)10-8-18-19(2)12-17(23)15-11-13(22)5-6-14(15)16(19)7-9-20(18,21)3/h1,5-6,11,16-18,22-24H,7-10,12H2,2-3H3/t16-,17-,18+,19-,20+,21+/m1/s1
InChI KeyQAPYNJHRINFWAG-YQPXSLGVSA-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
2361.0 Log mg/kg [1300:4200]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
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Androgen receptor structureClick to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.467
Statistical Significance
0.0023
Supporting Reference Compounds
73
E-value
17.6718
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.354
Applicability Domain
0.467
Statistical Significance
0.0194
Supporting Reference Compounds
593
E-value
151.339
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.354
Applicability Domain
0.467
Statistical Significance
0.0054
Supporting Reference Compounds
201
E-value
42.35
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.467
Statistical Significance
0.0018
Supporting Reference Compounds
33
E-value
14.1686
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.467
Statistical Significance
0.0014
Supporting Reference Compounds
40
E-value
11.2881
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.467
Statistical Significance
0.0064
Supporting Reference Compounds
174
E-value
50.057
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.467
Statistical Significance
0.0049
Supporting Reference Compounds
154
E-value
38.0683
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.467
Statistical Significance
0.0263
Supporting Reference Compounds
451
E-value
204.51
Polyunsaturated fatty acid lipoxygenase ALOX15 structureClick to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.467
Statistical Significance
0.002
Supporting Reference Compounds
47
E-value
15.4141
Click to view 3D structureNucleoside diphosphate phosphatase ENTPD5O75356HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.279 Low confidence
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.467
Statistical Significance
0.0181
Supporting Reference Compounds
104
E-value
141.141
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.467
Statistical Significance
0.1418
Supporting Reference Compounds
506
E-value
1103.59
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.313
Statistical Significance
0.0125
Supporting Reference Compounds
49
E-value
97.7008
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.467
Statistical Significance
0.0243
Supporting Reference Compounds
150
E-value
189.018
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.313
Statistical Significance
0.0326
Supporting Reference Compounds
146
E-value
253.788
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.313
Statistical Significance
0.0034
Supporting Reference Compounds
21
E-value
26.4687
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.28 Low confidence
Statistical Significance
0.235
Supporting Reference Compounds
532
E-value
1829.77
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.309
Statistical Significance
0.0316
Supporting Reference Compounds
119
E-value
246.004
Sulfotransferase 1A1 structureClick to view 3D structureSulfotransferase 1A1P50225HumansPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.467
Statistical Significance
5.00e-04
Supporting Reference Compounds
5
E-value
3.89246
Click to view 3D structureSolute carrier organic anion transporter family member 1A1P46720Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.313
Statistical Significance
0.002
Supporting Reference Compounds
10
E-value
15.8034
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.28 Low confidence
Statistical Significance
0.2693
Supporting Reference Compounds
527
E-value
2096.32
17-beta-hydroxysteroid dehydrogenase type 1 structureClick to view 3D structure17-beta-hydroxysteroid dehydrogenase type 1P14061HumansPredicted (SEA)
Prediction Confidence Score
0.238
Applicability Domain
0.273 Low confidence
Statistical Significance
0.0117
Supporting Reference Compounds
42
E-value
90.85
FUN14 domain-containing protein 1 structureClick to view 3D structureFUN14 domain-containing protein 1Q8IVP5HumansPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.237 Low confidence
Statistical Significance
8.40e-04
Supporting Reference Compounds
1
E-value
6.53933
Aldehyde oxidase structureClick to view 3D structureAldehyde oxidaseQ06278HumansPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.467
Statistical Significance
0.0017
Supporting Reference Compounds
14
E-value
13.0787
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.242 Low confidence
Statistical Significance
0.2349
Supporting Reference Compounds
427
E-value
1828.76
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available