Cholest-5-ene-3-beta-yl benzoate (CED0176913)

Record Information
Version1.0
Creation Date2026-04-04 19:50:33 UTC
Update Date2026-08-22 11:35:33 UTC
SynCED IDCED0176913
Secondary Accession Numbers
  • CHEM080084
Identification
Common NameCholest-5-ene-3-beta-yl benzoate
ClassSmall Molecule
Description
Cholest-5-ene-3-beta-yl benzoate is an organic compound with the formula C34H50O2 and an average molecular weight of 490.77 g/mol. Cholest-5-ene-3-beta-yl benzoate belongs to the cholestane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This substance is found in or released from three recorded sources, including indoor air via air, dust and atmospheric transport, antennas within electrical and electronic equipment, and tobacco product cases among household cleaning and consumer products. The recorded route of exposure for this compound is inhalation.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC34H50O2
Average Molecular Mass490.772 g/mol
Monoisotopic Mass490.381 g/mol
CAS Registry Number604-32-0
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)C1=CC=CC=C1)[C@H](C)CCCC(C)C
InChI IdentifierInChI=1/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3
InChI KeyUVZUFUGNHDDLRQ-LLHZKFLPSA-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
2594.0 Log mg/kg [1500:4600]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
CEDs000019Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.Air, dust & atmospheric transportNot Available
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
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
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.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
CEDs000567Tobacco Product Cases?Tobacco product cases can serve as a source of synthetic chemical contamination due to the presence of various additives and chemicals used in tobacco processing and product manufacturing.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
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.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
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.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
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 & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
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
CEDs000717Fountain Pens?Fountain pens utilize a liquid ink that often contains synthetic chemicals, including dyes, pigments, and solvents, which can contribute to environmental contamination.Paper, pulp & fiber productsPubChem
CEDs000720Ink Reservoir Pens2?Ink reservoir pens are writing instruments that utilize a reservoir to store ink, which is often composed of synthetic dyes, solvents, and additives.Paper, pulp & fiber productsPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.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
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Oxysterol-binding protein 1 structureClick to view 3D structureOxysterol-binding protein 1P22059HumansPredicted (SEA)
Prediction Confidence Score
0.553
Applicability Domain
0.657
Statistical Significance
1.30e-04
Supporting Reference Compounds
9
E-value
1.01204
Click to view 3D structureOxysterol-binding protein 2Q969R2HumansPredicted (SEA)
Prediction Confidence Score
0.544
Applicability Domain
0.657
Statistical Significance
1.20e-04
Supporting Reference Compounds
7
E-value
0.934191
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)
Prediction Confidence Score
0.53
Applicability Domain
0.657
Statistical Significance
0.0015
Supporting Reference Compounds
102
E-value
11.7552
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansPredicted (SEA)
Prediction Confidence Score
0.527
Applicability Domain
0.562
Statistical Significance
0.0011
Supporting Reference Compounds
76
E-value
8.56341
NPC1-like intracellular cholesterol transporter 1 structureClick to view 3D structureNPC1-like intracellular cholesterol transporter 1Q9UHC9HumansPredicted (SEA)
Prediction Confidence Score
0.512
Applicability Domain
0.541
Statistical Significance
1.40e-04
Supporting Reference Compounds
13
E-value
1.08989
Click to view 3D structureEphrin type-A receptor 7Q61772Mus musculusPredicted (SEA)
Prediction Confidence Score
0.474
Applicability Domain
0.474
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Click to view 3D structureEphrin type-B receptor 3P54754Mus musculusPredicted (SEA)
Prediction Confidence Score
0.474
Applicability Domain
0.474
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Click to view 3D structureEphrin type-B receptor 1P09759Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.474
Applicability Domain
0.474
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Click to view 3D structure3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomeraseP9WQP7Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.462
Applicability Domain
0.462
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
Ephrin type-A receptor 6 structureClick to view 3D structureEphrin type-A receptor 6Q62413Mus musculusPredicted (SEA)
Prediction Confidence Score
0.437
Applicability Domain
0.474
Statistical Significance
7.00e-05
Supporting Reference Compounds
2
E-value
0.544945
Click to view 3D structureOxysterols receptor LXR-betaQ62755Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.421
Applicability Domain
0.526
Statistical Significance
1.10e-04
Supporting Reference Compounds
4
E-value
0.856341
Ephrin type-A receptor 8 structureClick to view 3D structureEphrin type-A receptor 8O09127Mus musculusPredicted (SEA)
Prediction Confidence Score
0.416
Applicability Domain
0.474
Statistical Significance
4.00e-05
Supporting Reference Compounds
3
E-value
0.311397
Click to view 3D structureEphrin type-A receptor 5P54757Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.412
Applicability Domain
0.474
Statistical Significance
6.00e-05
Supporting Reference Compounds
4
E-value
0.467095
Ephrin type-A receptor 2 structureClick to view 3D structureEphrin type-A receptor 2Q03145Mus musculusPredicted (SEA)
Prediction Confidence Score
0.4
Applicability Domain
0.474
Statistical Significance
1.00e-04
Supporting Reference Compounds
7
E-value
0.778492
Ephrin type-A receptor 2 structureClick to view 3D structureEphrin type-A receptor 2P29317HumansPredicted (SEA)
Prediction Confidence Score
0.397
Applicability Domain
0.484
Statistical Significance
0.0133
Supporting Reference Compounds
611
E-value
103.929
3-hydroxy-3-methylglutaryl-coenzyme A reductase structureClick to view 3D structure3-hydroxy-3-methylglutaryl-coenzyme A reductaseP00347Cricetulus griseusPredicted (SEA)
Prediction Confidence Score
0.384
Applicability Domain
0.414
Statistical Significance
1.00e-04
Supporting Reference Compounds
2
E-value
0.778492
Click to view 3D structureG-protein coupled receptor 183D4A7K7Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.39
Statistical Significance
2.10e-04
Supporting Reference Compounds
2
E-value
1.63483
M-phase inducer phosphatase 1 structureClick to view 3D structureM-phase inducer phosphatase 1P30304HumansPredicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.481
Statistical Significance
1.00e-04
Supporting Reference Compounds
25
E-value
0.778492
G-protein coupled receptor 183 structureClick to view 3D structureG-protein coupled receptor 183P32249HumansPredicted (SEA)
Prediction Confidence Score
0.365
Applicability Domain
0.48
Statistical Significance
2.80e-04
Supporting Reference Compounds
63
E-value
2.17978
Ephrin type-A receptor 4 structureClick to view 3D structureEphrin type-A receptor 4Q03137Mus musculusPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.474
Statistical Significance
7.00e-05
Supporting Reference Compounds
29
E-value
0.544945
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.414
Statistical Significance
0.0016
Supporting Reference Compounds
33
E-value
12.3002
Nuclear receptor ROR-alpha structureClick to view 3D structureNuclear receptor ROR-alphaP35398HumansPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.48
Statistical Significance
0.002
Supporting Reference Compounds
41
E-value
15.492
Steroid 17-alpha-hydroxylase/17,20 lyase structureClick to view 3D structureSteroid 17-alpha-hydroxylase/17,20 lyaseP05093HumansPredicted (SEA)
Prediction Confidence Score
0.354
Applicability Domain
0.396
Statistical Significance
0.0013
Supporting Reference Compounds
69
E-value
10.2761
Click to view 3D structureNuclear hormone receptor isoform AA0A0K0EQJ4Strongyloides stercoralisPredicted (SEA)
Prediction Confidence Score
0.349
Applicability Domain
0.349
Statistical Significance
6.00e-05
Supporting Reference Compounds
1
E-value
0.467095
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.414
Statistical Significance
0.0014
Supporting Reference Compounds
21
E-value
11.1324
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available