Aclovate (CED0015347)

Record Information
Version1.0
Creation Date2026-04-05 13:15:04 UTC
Update Date2026-08-21 22:46:55 UTC
SynCED IDCED0015347
Secondary Accession Numbers
  • CHEM102492
Identification
Common NameAclovate
ClassSmall Molecule
Description
Aclovate is an organic compound with the formula C22H29ClO5 and an average molecular weight of 408.92 g/mol. Aclovate belongs to the hydroxysteroids, a subclass of steroids and steroid derivatives within the organic compounds. It is recorded as being found in or released from three sources: corticosteroids and antiinflammatory agents within healthcare, pharmaceuticals, and veterinary products, as well as other smoking requisites within household cleaning and consumer products. The recorded route of exposure for this compound is topical. Regarding its biological activity, Aclovate has two recorded protein targets. It acts as an agonist or binder of the glucocorticoid receptor (NR3C1) and targets corticosteroid-binding globulin (SERPINA6).
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC22H29ClO5
Average Molecular Mass408.920 g/mol
Monoisotopic Mass408.170 g/mol
CAS Registry Number67452-97-5
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C
InChI IdentifierInChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1
InChI KeyFJXOGVLKCZQRDN-PHCHRAKRSA-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 Spectrumsplash10-014i-2924000000-c9d1bae69bf0d5dafed5Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-08fr-3403229000-24ee16f5f1e9c45cb792Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-0009200000-fea01f2dad780692ef49Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0abc-0009000000-2deb28e6644854565702Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ke9-1069000000-1aa712f8fb7a9dca9706Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0009600000-25c4f1e7139999ede557Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4s-1009100000-1b75415ab17923d5797eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9508000000-686a6a37595cf371df7fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dl-0009000000-1783d07de821d8b00dffNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dj-0009000000-9b9e96fab399548a8738Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-015a-1009000000-f8e5972b21935d6d90acNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0abc-0009700000-c68706af8cea9763e9a2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-053s-0029200000-8ee74571f4364de0b7ddNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-8495000000-1d21c25ea9cbbc46daccNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
3914.0 Log mg/kg [2200:7000]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
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 & cosmeticsPubChem
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
CEDs000396Antiinflammatory agents?Anti-inflammatory agents are compounds used to reduce inflammation and alleviate pain in various medical conditions.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 EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
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 EquipmentPubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
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 productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
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 processingPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.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
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
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 & cosmeticsPubChem
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 & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.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
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000651Purses Money Bags Wallets?Purses, money bags, and wallets are often manufactured using synthetic materials, including plastics, polyurethanes, and various treated fabrics.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
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
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)
Prediction Confidence Score
0.463
Applicability Domain
0.514
Statistical Significance
0.0012
Supporting Reference Compounds
154
E-value
9.49761
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)
Prediction Confidence Score
0.425
Applicability Domain
0.514
Statistical Significance
0.0015
Supporting Reference Compounds
119
E-value
11.5217
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP06536Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.421
Applicability Domain
0.514
Statistical Significance
3.70e-04
Supporting Reference Compounds
26
E-value
2.88042
Mineralocorticoid receptor structureClick to view 3D structureMineralocorticoid receptorP08235HumansPredicted (SEA)
Prediction Confidence Score
0.409
Applicability Domain
0.514
Statistical Significance
0.0011
Supporting Reference Compounds
74
E-value
8.71911
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.514
Statistical Significance
9.60e-04
Supporting Reference Compounds
40
E-value
7.47353
Click to view 3D structureTyrosine aminotransferaseP04694Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.348
Statistical Significance
1.20e-04
Supporting Reference Compounds
2
E-value
0.934191
Click to view 3D structureNuclear receptor subfamily 1 group I member 2Q9R1A7Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.514
Statistical Significance
2.00e-05
Supporting Reference Compounds
12
E-value
0.155698
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.493
Statistical Significance
0.0019
Supporting Reference Compounds
21
E-value
15.1027
Pyruvate carboxylase, mitochondrial structureClick to view 3D structurePyruvate carboxylase, mitochondrialP11498HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.514
Statistical Significance
3.00e-05
Supporting Reference Compounds
2
E-value
0.233548
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.493
Statistical Significance
0.0092
Supporting Reference Compounds
201
E-value
71.3877
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.514
Statistical Significance
0.0067
Supporting Reference Compounds
146
E-value
51.9254
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.356
Statistical Significance
0.0264
Supporting Reference Compounds
258
E-value
205.444
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.493
Statistical Significance
0.01
Supporting Reference Compounds
174
E-value
77.6935
Androgen receptor structureClick to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.422
Statistical Significance
0.0038
Supporting Reference Compounds
73
E-value
29.5049
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP06537Mus musculusPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.493
Statistical Significance
6.50e-04
Supporting Reference Compounds
10
E-value
5.0602
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.346
Statistical Significance
0.0035
Supporting Reference Compounds
33
E-value
27.1694
Protein kinase C delta type structureClick to view 3D structureProtein kinase C delta typeQ05655HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.299 Low confidence
Statistical Significance
0.2934
Supporting Reference Compounds
681
E-value
2284.17
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.299 Low confidence
Statistical Significance
0.3625
Supporting Reference Compounds
797
E-value
2821.88
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.493
Statistical Significance
0.0187
Supporting Reference Compounds
54
E-value
145.5
Protein kinase C eta type structureClick to view 3D structureProtein kinase C eta typeP24723HumansPredicted (SEA)
Prediction Confidence Score
0.238
Applicability Domain
0.299 Low confidence
Statistical Significance
0.1027
Supporting Reference Compounds
145
E-value
799.667
Protein kinase C epsilon type structureClick to view 3D structureProtein kinase C epsilon typeQ02156HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.299 Low confidence
Statistical Significance
0.1465
Supporting Reference Compounds
189
E-value
1140.34
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.299 Low confidence
Statistical Significance
0.158
Supporting Reference Compounds
258
E-value
1229.94
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.299 Low confidence
Statistical Significance
0.4995
Supporting Reference Compounds
811
E-value
3888.88
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.299 Low confidence
Statistical Significance
0.4761
Supporting Reference Compounds
735
E-value
3706.32
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.33
Statistical Significance
0.0675
Supporting Reference Compounds
104
E-value
525.56
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available