(8s,11r,13s,14s,17s)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one (CED0299722)

Record Information
Version1.0
Creation Date2026-08-31 13:59:26 UTC
Update Date2026-08-31 13:59:26 UTC
SynCED IDCED0299722
Secondary Accession Numbers
  • CHEM345291
Identification
Common Name(8s,11r,13s,14s,17s)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
ClassSmall Molecule
Description
(8s,11r,13s,14s,17s)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-(3,3,3-trifluoroprop-1-ynyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one is a chemical compound with the formula C29H29F3O3. It has an average molecular weight of 482.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC29H29F3O3
Average Molecular MassNot Available
Monoisotopic Mass482.207 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(=O)C1=CC=C(C=C1)C2CC3(C(CCC3(C#CC(F)(F)F)O)C4C2=C5CCC(=O)C=C5CC4)C
InChI IdentifierInChI=1S/C29H29F3O3/c1-17(33)18-3-5-19(6-4-18)24-16-27(2)25(11-12-28(27,35)13-14-29(30,31)32)23-9-7-20-15-21(34)8-10-22(20)26(23)24/h3-6,15,23-25,35H,7-12,16H2,1-2H3/t23-,24+,25-,27-,28+/m0/s1
InChI KeyPBOYEGPKOBYDAP-YTFMROOWSA-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
241.0 Log mg/kg [140:430]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
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentNot Available
CEDs000652Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.Textiles, leather & furnishingsNot Available
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)
Prediction Confidence Score
0.623
Applicability Domain
0.732
Statistical Significance
1.00e-04
Supporting Reference Compounds
119
E-value
0.778492
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)
Prediction Confidence Score
0.568
Applicability Domain
0.732
Statistical Significance
3.60e-04
Supporting Reference Compounds
146
E-value
2.80257
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)
Prediction Confidence Score
0.556
Applicability Domain
0.689
Statistical Significance
4.30e-04
Supporting Reference Compounds
154
E-value
3.34752
Click to view 3D structureGlucocorticoid receptorQ9N1U3Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.512
Applicability Domain
0.649
Statistical Significance
9.00e-05
Supporting Reference Compounds
2
E-value
0.700643
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.454
Applicability Domain
0.689
Statistical Significance
0.0092
Supporting Reference Compounds
1538
E-value
71.6991
Cytochrome P450 2C8 structureClick to view 3D structureCytochrome P450 2C8P10632HumansPredicted (SEA)
Prediction Confidence Score
0.451
Applicability Domain
0.689
Statistical Significance
0.0019
Supporting Reference Compounds
305
E-value
14.8692
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.439
Applicability Domain
0.689
Statistical Significance
0.0099
Supporting Reference Compounds
1245
E-value
76.915
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP06536Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.431
Applicability Domain
0.649
Statistical Significance
3.30e-04
Supporting Reference Compounds
26
E-value
2.56902
Mineralocorticoid receptor structureClick to view 3D structureMineralocorticoid receptorP08235HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.649
Statistical Significance
0.001
Supporting Reference Compounds
74
E-value
7.94062
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP06537Mus musculusPredicted (SEA)
Prediction Confidence Score
0.417
Applicability Domain
0.732
Statistical Significance
1.00e-04
Supporting Reference Compounds
10
E-value
0.778492
Androgen receptor structureClick to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.398
Applicability Domain
0.649
Statistical Significance
0.0014
Supporting Reference Compounds
73
E-value
10.9767
Click to view 3D structureGlucocorticoid receptorA0A8C0QLS2Canis lupus familiarisPredicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.649
Statistical Significance
8.00e-05
Supporting Reference Compounds
3
E-value
0.622794
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.365
Applicability Domain
0.649
Statistical Significance
0.0047
Supporting Reference Compounds
201
E-value
36.3556
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.649
Statistical Significance
0.0012
Supporting Reference Compounds
40
E-value
9.6533
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.649
Statistical Significance
0.0044
Supporting Reference Compounds
174
E-value
34.4872
Thyroid hormone receptor beta structureClick to view 3D structureThyroid hormone receptor betaP10828HumansPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.649
Statistical Significance
6.20e-04
Supporting Reference Compounds
37
E-value
4.82665
Thyroid hormone receptor alpha structureClick to view 3D structureThyroid hormone receptor alphaP10827HumansPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.649
Statistical Significance
5.10e-04
Supporting Reference Compounds
27
E-value
3.97031
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.649
Statistical Significance
0.0025
Supporting Reference Compounds
104
E-value
19.6959
Click to view 3D structureProgesterone receptorQ63449Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.649
Statistical Significance
5.00e-05
Supporting Reference Compounds
5
E-value
0.389246
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.649
Statistical Significance
0.0926
Supporting Reference Compounds
527
E-value
720.884
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.649
Statistical Significance
0.0989
Supporting Reference Compounds
532
E-value
769.617
Tegument protein VP16 structureClick to view 3D structureTegument protein VP16P06492Herpes simplex virus (type 1 / strain 17)Predicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.649
Statistical Significance
0.0041
Supporting Reference Compounds
75
E-value
32.2296
Polyunsaturated fatty acid lipoxygenase ALOX15 structureClick to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.649
Statistical Significance
0.0027
Supporting Reference Compounds
47
E-value
21.0193
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.305
Statistical Significance
0.0033
Supporting Reference Compounds
33
E-value
25.9238
Click to view 3D structureSex hormone-binding globulinP08689Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.364
Statistical Significance
4.80e-04
Supporting Reference Compounds
2
E-value
3.73676
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available