Clocortolone (CED0020609)

Record Information
Version1.0
Creation Date2026-04-04 20:51:04 UTC
Update Date2026-08-21 22:38:01 UTC
SynCED IDCED0020609
Secondary Accession Numbers
  • CHEM081658
Identification
Common NameClocortolone
ClassSmall Molecule
Description
Clocortolone is an organic compound with the formula C22H28ClFO4 and an average molecular weight of 410.91 g/mol. Clocortolone belongs to the hydroxysteroids, a subclass of steroids and steroid derivatives within the organic compounds. This substance is identified as an agonist/inducer of the glucocorticoid receptor (NR3C1) and targets phospholipase A2 (PLA2G1B). The compound is found in or released from three recorded sources, including corticosteroids within healthcare, pharmaceuticals, and veterinary products, as well as other smoking requisites and non-electric simulated smoking devices within household cleaning and consumer products. The recorded route of exposure for clocortolone is topical.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC22H28ClFO4
Average Molecular Mass410.907 g/mol
Monoisotopic Mass410.166 g/mol
CAS Registry Number4828-27-7
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
InChI IdentifierInChI=1/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3
InChI KeyYMTMADLUXIRMGX-RFPWEZLHSA-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0fts-0902000000-db049b3ec73de5a11c55Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-000l-2422090000-e26ab64c097ac3a8a28eNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dl-0009300000-10e0e49fc29a66a2e173Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-06tf-0109100000-752aaf06820544efd7dbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001j-3119000000-2d31623d437f3f01cadbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0004900000-88750b9c66302d7f4b0fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4l-1009200000-dd9fd4ec78332b3082e7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-4509000000-3061fb46de1c491f79dcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0007900000-097eefd9651f8cee538bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ik9-0009100000-9e7fed184555a49f52dcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0zmi-2986000000-95acec09a45b047de6e3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0007900000-9048ab14b535e5d00a42Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-005a-0009000000-767fa69916370947b930Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f6w-0009000000-63e23b0c3d6fdff57bb7Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
264.0 Log mg/kg [150:470]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
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementNot Available
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsNot Available
CEDs000309Corticosteroids?Corticosteroids are synthetic drugs that mimic the effects of hormones produced by the adrenal glands and are widely used for their anti-inflammatory and immunosuppressive properties.Healthcare, pharmaceuticals & veterinary productsNot Available
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
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentNot Available
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsNot Available
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsNot Available
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingNot Available
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementNot Available
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsNot Available
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 & cosmeticsNot Available
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsNot Available
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsNot Available
CEDs000616Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.Personal care & cosmeticsNot Available
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsNot Available
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.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
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 processingNot Available
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 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
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)
Prediction Confidence Score
0.425
Applicability Domain
0.606
Statistical Significance
0.0018
Supporting Reference Compounds
154
E-value
13.7015
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)
Prediction Confidence Score
0.411
Applicability Domain
0.606
Statistical Significance
5.60e-04
Supporting Reference Compounds
40
E-value
4.35956
Click to view 3D structureNuclear receptor subfamily 1 group I member 2Q9R1A7Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.606
Statistical Significance
2.00e-05
Supporting Reference Compounds
12
E-value
0.155698
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.378
Statistical Significance
0.0033
Supporting Reference Compounds
119
E-value
26.0016
Click to view 3D structureTyrosine aminotransferaseP04694Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.319
Statistical Significance
1.90e-04
Supporting Reference Compounds
2
E-value
1.47914
Mineralocorticoid receptor structureClick to view 3D structureMineralocorticoid receptorP08235HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.378
Statistical Significance
0.0042
Supporting Reference Compounds
74
E-value
32.6967
Androgen receptor structureClick to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.378
Statistical Significance
0.0039
Supporting Reference Compounds
73
E-value
30.1276
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP06536Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.354
Statistical Significance
0.0013
Supporting Reference Compounds
26
E-value
9.9647
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.378
Statistical Significance
0.0169
Supporting Reference Compounds
201
E-value
131.409
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.319
Statistical Significance
0.0479
Supporting Reference Compounds
258
E-value
372.586
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.378
Statistical Significance
0.061
Supporting Reference Compounds
174
E-value
474.958
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.268 Low confidence
Statistical Significance
0.0035
Supporting Reference Compounds
21
E-value
27.6365
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.354
Statistical Significance
0.0505
Supporting Reference Compounds
146
E-value
392.905
Pyruvate carboxylase, mitochondrial structureClick to view 3D structurePyruvate carboxylase, mitochondrialP11498HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.354
Statistical Significance
3.80e-04
Supporting Reference Compounds
2
E-value
2.95827
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.259 Low confidence
Statistical Significance
0.0049
Supporting Reference Compounds
33
E-value
38.5354
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.307
Statistical Significance
0.0813
Supporting Reference Compounds
104
E-value
632.836
Click to view 3D structureSolute carrier family 22 member 3O88446Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.259 Low confidence
Statistical Significance
0.0026
Supporting Reference Compounds
3
E-value
20.4743
Solute carrier organic anion transporter family member 1B1 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B1Q9Y6L6HumansPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.33
Statistical Significance
0.089
Supporting Reference Compounds
82
E-value
692.858
Solute carrier organic anion transporter family member 1B3 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B3Q9NPD5HumansPredicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.33
Statistical Significance
0.0668
Supporting Reference Compounds
51
E-value
520.111
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)
Prediction Confidence Score
0.201
Applicability Domain
0.268 Low confidence
Statistical Significance
0.1233
Supporting Reference Compounds
54
E-value
960.114
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.307
Statistical Significance
0.9621
Supporting Reference Compounds
1538
E-value
7490.11
Protein kinase C eta type structureClick to view 3D structureProtein kinase C eta typeP24723HumansPredicted (SEA)
Prediction Confidence Score
0.192
Applicability Domain
0.22 Low confidence
Statistical Significance
0.529
Supporting Reference Compounds
145
E-value
4118.07
Phospholipase A2, membrane associated structureClick to view 3D structurePhospholipase A2, membrane associatedP14555HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.354
Statistical Significance
0.21
Supporting Reference Compounds
49
E-value
1634.91
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.202 Low confidence
Statistical Significance
0.4105
Supporting Reference Compounds
197
E-value
3195.94
Inhibitor of nuclear factor kappa-B kinase subunit beta structureClick to view 3D structureInhibitor of nuclear factor kappa-B kinase subunit betaO14920HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.354
Statistical Significance
0.8346
Supporting Reference Compounds
389
E-value
6497.22
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available