Enzacamene (CED0024831)

Record Information
Version1.0
Creation Date2016-05-22 06:23:27 UTC
Update Date2026-05-14 19:07:54 UTC
SynCED IDCED0024831
Secondary Accession Numbers
  • CHEM019683
Identification
Common NameEnzacamene
ClassSmall Molecule
Description
Enzacamene is an organic compound with the chemical formula C17H20O and an average molecular weight of 240.35 g/mol. Enzacamene belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. Industrially, the substance is utilized as a fragrance. The compound has been recorded in two sources: drinking water and water supply, as well as food contact materials used in food, food processing, and cookware. Exposure to this compound can occur through oral, inhalation, and touch routes. Regarding its biological activity, enzacamene acts as an antagonist for four protein targets: the progesterone receptor (PGR), the androgen receptor (AR), the estrogen receptor (ESR1), and the estrogen receptor beta (ESR2).
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC17H20O
Average Molecular Mass240.346 g/mol
Monoisotopic Mass240.151 g/mol
CAS Registry Number36861-47-9
IUPAC Name7,7-dimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
Traditional Name7,7-dimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
SMILESCC1=CC=C(C=C2C3CCC(C2=O)C3(C)C)C=C1
InChI IdentifierInChI=1S/C17H20O/c1-11-4-6-12(7-5-11)10-13-14-8-9-15(16(13)18)17(14,2)3/h4-7,10,14-15H,8-9H2,1-3H3
InChI KeyVFTURGJPQCAITG-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentBicyclic monoterpenoids
Alternative Parents
Substituents
  • Bicyclic monoterpenoid
  • Aromatic monoterpenoid
  • Toluene
  • Benzenoid
  • Monocyclic benzene moiety
  • Ketone
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.0097 g/LALOGPS
logP4.46ALOGPS
logP4.56ChemAxon
logS-4.4ALOGPS
pKa (Strongest Basic)-5.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity75.18 m³·mol⁻¹ChemAxon
Polarizability28.57 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0490000000-d87dbb330e6e54110e78Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0007-1950000000-5efec33240210573742aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-4900000000-9a5c8d6fe82d4865efdcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-1a6c98b37e17c62cb5ccNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-817360f4a4de28730595Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pbi-2950000000-c76ec23361429302f66aNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2257.0 Log mg/kg [1300:4000]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
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC10259088 , PMC4713456
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC10567945 , PMC12387943
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
CEDs000116Tap water?Tap water can be a potential source of synthetic chemical contamination due to various industrial processes and agricultural runoff.Drinking water & water supplyPMC4713456
CEDs000217Sunscreen?Sunscreen products often contain synthetic chemicals such as oxybenzone, octinoxate, and avobenzone, which are used for their UV-filtering properties.Personal care & cosmeticsPMC11106729 , PMC9414157
CEDs000462Landfill leachate?Landfill leachate is a liquid that forms when rainwater or moisture percolates through waste materials in a landfill, dissolving various soluble substances and contaminants.Waste management, landfill & incinerationPMC4713456
CEDs000479Effluent?Effluent refers to liquid waste or sewage that is discharged into the environment, typically resulting from industrial processes, municipal wastewater treatment, or agricultural runoff.Wastewater, sanitation & biosolidsPMC11485089
CEDs000490Personal care & cosmeticsNot Available
CEDs000494Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.Food, food processing & cookwareNot Available
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
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
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
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 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
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.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
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
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
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
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 & 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
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 & 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
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
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.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
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
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
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.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
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
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.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
CEDs01170EggsFood, food processing & cookwarePMC9583603 , PMC9583603
CEDs02053Microplastic ParticleIndustrial manufacturing & chemical processingPMC12387943
CEDs02220Drinking Water SourcesDrinking water & water supplyPMC12387943
CEDs02255WaterAquatic systems & sedimentsPMC12387943
CEDs02261Sea WaterAquatic systems & sedimentsPMC10567945 , PMC10567945
CEDs02264SedimentAquatic systems & sedimentsPMC6153379 , PMC12387943
CEDs02268Water SamplesAquatic systems & sedimentsPMC10567945
CEDs02286LakeAquatic systems & sedimentsPMC11864206
CEDs02407Danube RiverAquatic systems & sedimentsPMC12387943
CEDs02414Subsurface WaterAquatic systems & sedimentsPMC3673939
CEDs02485Aquatic CompartmentsAquatic systems & sedimentsPMC12387943
CEDs02845CosmeticsPersonal care & cosmeticsPMC8487416 , PMC8487416
CEDs02846SunscreensPersonal care & cosmeticsPMC12031266 , PMC7355763
CEDs02847Personal Care ProductsPersonal care & cosmeticsPMC12031266 , PMC10647987
CEDs02856Cosmetic FormulationsPersonal care & cosmeticsPMC4531295
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC12387943 , PMC12387943
CEDs03021Wastewater Treatment PlantWastewater, sanitation & biosolidsPMC12387943
CEDs03043WWTPsWastewater, sanitation & biosolidsPMC12387943
CEDs03137WWTP influentsWastewater, sanitation & biosolidsPMC12444985
Pathways
1 pathwayPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.296 Low confidence
Statistical Significance
0.2381
Supporting Reference Compounds
343
E-value
1853.51
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.25 Low confidence
Statistical Significance
0.2378
Supporting Reference Compounds
226
E-value
1851.57
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.25 Low confidence
Statistical Significance
0.2383
Supporting Reference Compounds
227
E-value
1854.91
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.24 Low confidence
Statistical Significance
0.6745
Supporting Reference Compounds
906
E-value
5250.7
Insulin-like growth factor 1 receptor structureClick to view 3D structureInsulin-like growth factor 1 receptorP08069HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.226 Low confidence
Statistical Significance
0.6655
Supporting Reference Compounds
785
E-value
5181.1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1BQ9Y463HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.24 Low confidence
Statistical Significance
0.5095
Supporting Reference Compounds
377
E-value
3966.18
Dual specificity tyrosine-phosphorylation-regulated kinase 2 structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 2Q92630HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.24 Low confidence
Statistical Significance
0.3097
Supporting Reference Compounds
196
E-value
2411.07
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.231 Low confidence
Statistical Significance
0.7703
Supporting Reference Compounds
1301
E-value
5996.65
Dual specificity protein kinase CLK1 structureClick to view 3D structureDual specificity protein kinase CLK1P49759HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.24 Low confidence
Statistical Significance
0.4064
Supporting Reference Compounds
268
E-value
3164.03
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.226 Low confidence
Statistical Significance
0.6329
Supporting Reference Compounds
597
E-value
4926.77
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.309
Statistical Significance
0.317
Supporting Reference Compounds
201
E-value
2467.82
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.25 Low confidence
Statistical Significance
0.2469
Supporting Reference Compounds
125
E-value
1921.86
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.229 Low confidence
Statistical Significance
0.9064
Supporting Reference Compounds
1498
E-value
7056.25
Trans-sialidase structureClick to view 3D structureTrans-sialidaseQ26964Trypanosoma cruziPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.258 Low confidence
Statistical Significance
3.50e-04
Supporting Reference Compounds
1
E-value
2.72472
Serine/threonine-protein kinase pim-2 structureClick to view 3D structureSerine/threonine-protein kinase pim-2Q9P1W9HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.326
Statistical Significance
0.2386
Supporting Reference Compounds
525
E-value
1857.33
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.267 Low confidence
Statistical Significance
0.4078
Supporting Reference Compounds
1157
E-value
3174.77
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.326
Statistical Significance
0.407
Supporting Reference Compounds
967
E-value
3168.77
Fibroblast growth factor 23 structureClick to view 3D structureFibroblast growth factor 23Q9GZV9HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.245 Low confidence
Statistical Significance
1.70e-04
Supporting Reference Compounds
1
E-value
1.32344
Click to view 3D structureDual specificity protein phosphataseQ7T2L8Danio rerioPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.232 Low confidence
Statistical Significance
0.0017
Supporting Reference Compounds
1
E-value
13.1565
CDGSH iron-sulfur domain-containing protein 1 structureClick to view 3D structureCDGSH iron-sulfur domain-containing protein 1Q9NZ45HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.261 Low confidence
Statistical Significance
0.0041
Supporting Reference Compounds
22
E-value
31.6846
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.254 Low confidence
Statistical Significance
0.2575
Supporting Reference Compounds
425
E-value
2004.54
Click to view 3D structureGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonaseQ9BHT9Plasmodium bergheiPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0483
Supporting Reference Compounds
105
E-value
375.934
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.333
Statistical Significance
0.2578
Supporting Reference Compounds
296
E-value
2007.03
Click to view 3D structureVascular endothelial growth factor receptor 2P35918MousePredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.236 Low confidence
Statistical Significance
0.0412
Supporting Reference Compounds
37
E-value
320.739
Click to view 3D structureVascular endothelial growth factor receptor 1P35969Mus musculusPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.236 Low confidence
Statistical Significance
0.0114
Supporting Reference Compounds
23
E-value
89.0595
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID60196294
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available