p-Nonylphenol (CED0013432)

Record Information
Version1.0
Creation Date2016-06-03 10:03:07 UTC
Update Date2026-08-19 12:40:29 UTC
SynCED IDCED0013432
Secondary Accession Numbers
  • CHEM042648
Identification
Common Namep-Nonylphenol
ClassSmall Molecule
Description
p-Nonylphenol (C15H24O) is a compound with an average molecular weight of 220.36 g/mol. p-Nonylphenol belongs to the 1-hydroxy-4-unsubstituted benzenoids, a subclass of phenols within the organic compounds. Industrially, the substance is utilized as a detergent (PMC4498237 ), a surfactant (PMC6891210 ), and an antioxidant (PMC9662687 ). Biologically, it functions as an anti-inflammatory drug (PMC10492480 ), a xenoestrogen (PMC11711685 ), and an endocrine disruptor (PMC2643957 ). The compound is released from 13 recorded sources. These include building and construction materials such as ceilings, and food, food processing and cookware, specifically processing meats and fermentation processes for beer. It is found in household cleaning and consumer products, including pipe accessories, cigar cigarettes, and non electric simulated smoking devices. Additionally, it is associated with electrical and electronic equipment, including electric switches, discharge lamps, antennas, auxiliary devices, emergency protective devices, and two other sources. Regarding health effects, p-Nonylphenol is associated with endometrial cancer (PMC6891210 ) and a decrease in lethargy (PMC9885170 ). Furthermore, levels of the compound are elevated in the urine of individuals with hypospadias (increase) (PMC8502235 ).
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC15H24O
Average Molecular Mass220.356 g/mol
Monoisotopic Mass220.183 g/mol
CAS Registry Number136-83-4
IUPAC Name2-nonylphenol
Traditional Namenonylphenol
SMILESCCCCCCCCCC1=CC=CC=C1O
InChI IdentifierInChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3
InChI KeySNQQPOLDUKLAAF-UHFFFAOYSA-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 Roles
Chemical RolesNot Available
Organoleptic Effects
  • yellow colour ?
  • colorless colour ?
  • light yellow colour ?
  • unpleasant odor odour ?
  • pale yellow colour ?
  • sticky touch ?
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.0017 g/LALOGPS
logP5.94ALOGPS
logP5.74ChemAxon
logS-5.1ALOGPS
pKa (Strongest Acidic)10.3ChemAxon
pKa (Strongest Basic)-5.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity69.89 m³·mol⁻¹ChemAxon
Polarizability28.33 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0a4l-9700000000-eb94d0a8ba93ae199312Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot 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 Spectrumsplash10-00di-0190000000-a8c083c6761413174c2cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05fr-7940000000-2394d791080eb267d385Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-9100000000-7869e5b729a90902af70Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-a4378bf7d9edf883778fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-5fab7a27c59a3cce62efNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-6920000000-009f51d7c7efdea87d7aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05fr-9330000000-befb4bbfe4712ae7e2c6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0aou-9000000000-6d6a3869ed40288de9e2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-9000000000-5363c4ba8f76167dbebcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-4af4c4ee1c4acef7e18bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-64f18bb7604b88927f39Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-066r-5900000000-e4645395af4f7f3a20deNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2323.0 Log mg/kg [1300:4100]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
inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC8463903
cancerAssociated With?Not AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC8434494 , PMC11783352
breast cancerAssociated With?Not AvailableA breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)PMC6790866
asthmaAssociated With?Not AvailableA bronchial disease that is characterized by chronic inflammation and narrowing of the airways, which is caused by a combination of environmental and genetic factors. The disease has symptom recurring periods of wheezing (a whistling sound while breathing), has symptom chest tightness, has symptom shortness of breath, has symptom mucus production and has symptom coughing. The symptoms appear due to a variety of triggers such as allergens, irritants, respiratory infections, weather changes, exercise, stress, reflux disease, medications, foods and emotional anxiety. (DO)PMC13236817
endometrial cancerAssociated With?Not AvailableA uterine cancer that is located in tissues lining the uterus. (DO)PMC6891210
endometrial cancerElevated in Urine InincreaseA uterine cancer that is located in tissues lining the uterus. (DO)PMC13360440
Prostate cancerAssociated With?Not AvailableA male reproductive organ cancer that is located in the prostate. (DO)PMC6790866 , PMC8744944
melanomaAssociated With?increaseA cell type cancer that has material basis in abnormally proliferating cells derives from melanocytes which are found in skin, the bowel and the eye. (DO)PMC12627641
colon cancerAssociated With?increaseNot AvailablePMC6790866
obesityAssociated With?increaseA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC6249079 , PMC12096275
obesityAssociated With?Not AvailableA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC3687513
COVID-19Is Biomarker OfNot AvailableNot AvailablePMC11312689 , PMC11312689
COVID-19Elevated in Blood InincreaseNot AvailablePMC11312689
edemaAssociated With?Not AvailableA disorder characterized by swelling due to an excessive accumulation of fluid (NCI CTCAE)PMC11783352
ovarian cancerAssociated With?Not AvailableA female reproductive organ cancer that is located in the ovary. (DO)PMC8744944
neuroblastomaAssociated With?Not AvailableAn autonomic nervous system neoplasm that derives from immature nerve cells. (DO)PMC4913548 , PMC4913548
lethargyAssociated With?decreaseA disorder characterized by a decrease in consciousness characterized by mental and physical inertness. (NCI CTCAE)PMC9885170
cryptorchidismAssociated With?increaseNot AvailablePMC9605679
hypospadiasElevated in Urine InincreaseNot AvailablePMC8502235
allergic diseaseAssociated With?Not AvailableAllergic diseases, also known as allergies, are a number of conditions caused by hypersensitivity of the immune system to typically harmless substances in the environment. These diseases include hay fever, food allergies, atopic dermatitis, allergic asthma, and anaphylaxis. Symptoms may include red eyes, an itchy rash, sneezing, a runny nose, shortness of breath, or swelling. Common allergens include pollen and certain foods. Metals and other substances may also cause allergies. Food, insect stings, and medications are common causes of severe allergic reactions. Allergies can be due to both genetic and environmental factors. The underlying mechanism involves immunoglobulin E antibodies (IgE) binding to an allergen and then to a receptor on mast cells or basophils where it triggers the release of inflammatory chemicals such as histamine. Allergies are among the most common conditions in the world. In the developed world, about 20% of people are affected by allergic rhinitis, about 6% of people have at least one food allergy, and about 20% have atopic dermatitis at some point in time.PMC12507775
Toxic encephalopathyAssociated With?Not AvailableNot AvailablePMC12675269 , PMC12675269
gastritisAssociated With?increaseA disorder characterized by inflammation of the stomach. (NCI CTCAE)PMC3662185
Oxidative StressAssociated With?Not AvailableNot AvailablePMC11711685 , PMC9965297
Oxidative StressAssociated With?increaseNot AvailablePMC11711685 , PMC11783352
DNA DamageAssociated With?Not AvailableNot AvailablePMC9752785
DNA DamageAssociated With?increaseNot AvailablePMC6823117
metabolic diseaseAssociated With?Not AvailableNot AvailablePMC8434494
prediabetes syndromeAssociated With?increaseNot AvailablePMC6249079
Atypical behaviorAssociated With?Not AvailableNot AvailablePMC12563894
depressive disorderAssociated With?Not AvailableNot AvailablePMC8139269
Body WeightAssociated With?increaseNot AvailablePMC7983487
Congenital AbnormalitiesAssociated With?Not AvailableNot AvailablePMC8434494 , PMC7362455
Cell SurvivalAssociated With?decreaseNot AvailablePMC11895806
Cell SurvivalAssociated With?increaseNot AvailablePMC3968147
Reproductive HealthAssociated With?Not AvailableNot AvailablePMC7796095
NeurodevelopmentAssociated With?Not AvailableNot AvailablePMC13400463
endocrine system disorderAssociated With?Not AvailableNot AvailablePMC6586153
Ovarian ReserveAssociated With?decreaseNot AvailablePMC13295432
congestionAssociated With?Not AvailableNot AvailablePMC11783352 , PMC11783352
uterine fibroidElevated in Urine InincreaseNot AvailablePMC3821850
uterine fibroidAssociated With?Not AvailableNot AvailablePMC3821850
Litter SizeAssociated With?Not AvailableNot AvailablePMC6586153
adrenal gland hyperfunctionAssociated With?increaseNot AvailablePMC7983487
colonic neoplasmAssociated With?Not AvailableNot AvailablePMC6790866
Decreased testicular sizeAssociated With?decreaseNot AvailablePMC8864147
spermatogenic failureAssociated With?Not AvailableNot AvailablePMC7796095
neoplasm of testisAssociated With?increaseNot AvailablePMC9605679
Exposure Sources
Source IDSourceSectorReference
CEDs000003Irrigation water?Irrigation water can serve as a vector for synthetic chemical contamination due to its potential exposure to agricultural inputs such as fertilizers, pesticides, and herbicides.Agriculture & land managementPMC5783641
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementPMC10356929
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000013Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.Agriculture & land managementPMC9530410 , PMC9630848
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 transportPMC2677823
CEDs000049River sediment?River sediment can serve as a significant reservoir for synthetic chemical contaminants, which may originate from various anthropogenic activities.Aquatic systems & sedimentsPMC8540681
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC3269700
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC8540681 , PMC11378256
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructurePubChem
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC5439038 , PMC5439038
CEDs000117Bottled water?Bottled water, while perceived as a safe and convenient alternative to tap water, can be a source of synthetic chemical contamination.Drinking water & water supplyPMC5439038 , PMC13335550
CEDs000155Detergents?Detergents are synthetic surfactants used in various cleaning applications, designed to break down and remove dirt, grease, and stains from surfaces and fabrics.Household cleaning & consumer productsPMC2646121 , PMC2839367
CEDs000181Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.Marine, shipping & aquaculturePubChem
CEDs000182Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.Marine, shipping & aquaculturePubChem
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
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 , PMC5053459
CEDs000468Industrial wastewater?Industrial wastewater is a byproduct generated during various manufacturing and processing activities, which often contains a complex mixture of organic and inorganic synthetic chemicals.Wastewater, sanitation & biosolidsPMC13028841
CEDs000469Sewage sludge?Sewage sludge is a byproduct generated during the treatment of wastewater in municipal and industrial processes.Wastewater, sanitation & biosolidsPMC3688581 , PMC3688581
CEDs000476Biosolids?Biosolids are nutrient-rich organic materials derived from the treatment of sewage sludge during wastewater management processes.Wastewater, sanitation & biosolidsPMC9530410 , PMC3269700
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 & biosolidsPMC7825564 , PMC2665886
CEDs000483WWTP effluent?Wastewater treatment plant (WWTP) effluent can serve as a significant source of synthetic chemical contamination in the environment.Wastewater, sanitation & biosolidsPMC11126012
CEDs000486Secondary sludge?Secondary sludge is a byproduct generated during the biological treatment of wastewater, where microorganisms break down organic matter.Wastewater, sanitation & biosolidsPMC7825564 , PMC7825564
CEDs000495Ceilings?Ceilings in built environments can be a source of synthetic chemical contamination due to the materials used in their construction and finishes.Building & ConstructionPubChem
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
CEDs000507Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.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
CEDs000514Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.Electrical & Electronic EquipmentPubChem
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.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
CEDs000520Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.Electrical & Electronic EquipmentPubChem
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.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
CEDs000529Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
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
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
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
CEDs000562Pipe Accessories?Pipe accessories, such as fittings, connectors, and seals, are components used in plumbing systems to facilitate the flow of liquids and gases.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
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
CEDs000579Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.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
CEDs000583Anchoring Equipment?Anchoring equipment, commonly used in marine applications, can be a source of synthetic chemical contamination due to the materials and coatings utilized in their manufacturing.Marine, shipping & aquaculturePubChem
CEDs000584Buoys?Buoys, often used for navigation and marine monitoring, can be sources of synthetic chemical contamination due to the materials and coatings employed in their construction.Marine, shipping & aquaculturePubChem
CEDs000592Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.Marine, shipping & aquaculturePubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000598Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.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
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.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
CEDs000612Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.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
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
CEDs000625Racing Sports?Racing sports often utilize synthetic surfaces, such as polyurethane or rubberized tracks, to enhance performance and safety.Recreation & sports surfacesPubChem
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
CEDs000631Anthraquinone Dyes?Anthraquinone dyes are a class of synthetic organic compounds characterized by their vibrant colors and stability, making them widely used in various applications, particularly in coloring textiles and leather.Textiles, leather & furnishingsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000633Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.Textiles, leather & furnishingsPubChem
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.Textiles, leather & furnishingsPubChem
CEDs000639Degreasing Leather?Degreasing leather involves the removal of natural fats and oils from animal hides to prepare them for tanning and finishing processes.Textiles, leather & furnishingsPubChem
CEDs000640Embroidering And Tufting?Embroidering and tufting processes often involve the use of synthetic chemicals such as dyes, adhesives, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000641Foam Dyeing?Foam dyeing is a textile dyeing technique that utilizes a foaming agent to create a dye solution in a gaseous form, allowing for the application of dyes onto fabrics.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
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
CEDs000647Multicolour Dyeing?Multicolour dyeing involves the application of multiple synthetic dyes to textiles and other materials to achieve vibrant, diverse color patterns.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
CEDs000655Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000658Touch Fasteners?Touch fasteners, commonly known as hook-and-loop fasteners, are composed of synthetic materials such as nylon or polyester.Textiles, leather & furnishingsPubChem
CEDs000659Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.Textiles, leather & furnishingsPubChem
CEDs000661Umbrellas?Umbrellas are commonly manufactured using synthetic materials such as polyester, nylon, and polyvinyl chloride (PVC), which can contribute to synthetic chemical contamination.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000664Fire Fighting Gels?Fire fighting gels are synthetic chemical formulations designed to enhance fire suppression effectiveness by creating a protective barrier against heat and flames.Fire suppression systems & agentsPubChem
CEDs000667Gaseous Fire Fighting?Gaseous fire fighting systems utilize synthetic chemicals, such as halocarbons and inert gases, to suppress fires through chemical and physical processes.Fire suppression systems & agentsPubChem
CEDs000668Non-PFAS Fire Fighting Foam?Non-PFAS fire fighting foam refers to fire suppression agents that do not contain per- and polyfluoroalkyl substances (PFAS), which are synthetic chemicals known for their water- and grease-resistant properties.Fire suppression systems & agentsPubChem
CEDs000669PFAS Fire Fighting Foam?PFAS fire fighting foam refers to a class of synthetic foams containing per- and polyfluoroalkyl substances (PFAS), which are designed to suppress flammable liquid fires.Fire suppression systems & agentsPubChem
CEDs000670Solid Fire Fighting Substances?Solid fire fighting substances, such as certain types of dry chemical powders, are used in fire suppression applications to extinguish flames and prevent fire spread.Fire suppression systems & agentsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.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
CEDs000690Lime?Lime, primarily comprised of calcium oxide (CaO) or calcium hydroxide (Ca(OH)₂), is widely used in various applications, including as a key ingredient in mortars, plasters, and cement.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
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000699Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.Mining & metal processingPubChem
CEDs000716Erasers?Erasers, commonly used in writing and drawing applications, are often made from synthetic rubber or thermoplastic materials, which can contain various additives such as plasticizers, fillers, and colorants.Paper, pulp & fiber productsPubChem
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
CEDs000726Pens?Pens, commonly utilized for writing and marking, can be a source of synthetic chemical contamination primarily due to the materials used in their manufacturing.Paper, pulp & fiber productsPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000729Stamps?Stamps, particularly those produced using synthetic inks and adhesives, can contribute to chemical contamination when disposed of improperly.Paper, pulp & fiber productsPubChem
CEDs000733Walking Sticks?Walking sticks, while primarily designed for mobility assistance, can be sources of synthetic chemical contamination if not properly manufactured or maintained.Healthcare, pharmaceuticals & veterinary productsPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.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
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs00745Corn OilAgriculture & land managementPMC5053459 , PMC3968147
CEDs00753Agricultural SoilAgriculture & land managementPMC3688581
CEDs00754BiocharAgriculture & land managementPMC8779034
CEDs00763Fish FeedAgriculture & land managementPMC7191540
CEDs00773CropAgriculture & land managementPMC10648480
CEDs00807Soil MatrixAgriculture & land managementPMC8009438
CEDs00829Agricultural RunoffAgriculture & land managementPMC11142977
CEDs00877Soil MatricesAgriculture & land managementPMC9630848
CEDs00975Agricultural LandsAgriculture & land managementPMC9630848
CEDs01004FarmlandsAgriculture & land managementPMC9630848
CEDs01143DietFood, food processing & cookwarePMC3039946
CEDs01144FoodFood, food processing & cookwarePMC9630848 , PMC10529129
CEDs01145BeveragesFood, food processing & cookwarePMC5439038 , PMC12130511
CEDs01148MilkFood, food processing & cookwarePMC5439038 , PMC5439038
CEDs01151FruitsFood, food processing & cookwarePMC5439038 , PMC5439038
CEDs01152Food ChainFood, food processing & cookwarePMC8077693 , PMC11615417
CEDs01153Breast MilkFood, food processing & cookwarePMC5439038 , PMC7796095
CEDs01154Human MilkFood, food processing & cookwarePMC3552055 , PMC5439038
CEDs01156Food SuppliesFood, food processing & cookwarePMC3447581
CEDs01157FoodsFood, food processing & cookwarePMC5439038 , PMC5439038
CEDs01198HoneyFood, food processing & cookwarePMC4862968 , PMC3086346
CEDs01200VegetablesFood, food processing & cookwarePMC5439038 , PMC5439038
CEDs01206Edible PartsFood, food processing & cookwarePMC11615417
CEDs01208FruitFood, food processing & cookwarePMC5439038 , PMC11615417
CEDs01213FoodstuffsFood, food processing & cookwarePMC5439038 , PMC5439038
CEDs01226SeafoodFood, food processing & cookwarePMC5439038 , PMC7915293
CEDs01268Food ChainsFood, food processing & cookwarePMC9630848 , PMC5453125
CEDs01560Beverage SamplesFood, food processing & cookwarePMC8434494
CEDs01599Food-contact MaterialsFood, food processing & cookwarePMC4141752
CEDs01686Leafy VegetableFood, food processing & cookwarePMC11615417
CEDs01707Aquatic Food WebsFood, food processing & cookwarePMC11481666
CEDs01709Egg SamplesFood, food processing & cookwarePMC5439038
CEDs01795Baby BottlesPackagingPMC4410238
CEDs01800Food Contact MaterialsPackagingPMC7437819
CEDs01808Plastic BagsPackagingPMC8434494
CEDs01812ContainersPackagingPMC12130511 , PMC12130511
CEDs01818Food and Drink PackagingPackagingPMC11395667
CEDs01830Packaging MaterialPackagingPMC12028573
CEDs01871Disposable CupsPackagingPMC12130511 , PMC12130511
CEDs01875Plastic PackagesPackagingPMC4410238
CEDs01886PlasticIndustrial manufacturing & chemical processingPMC7190598 , PMC3462220
CEDs01902Plastic ProductsIndustrial manufacturing & chemical processingPMC8424902
CEDs01919Plastic DebrisIndustrial manufacturing & chemical processingPMC9765214
CEDs01970Plastic TubesIndustrial manufacturing & chemical processingPMC9662687 , PMC3086346
CEDs01975Manufactured ProductIndustrial manufacturing & chemical processingPMC11142977
CEDs02067LandfillWaste management, landfill & incinerationPMC5803285 , PMC5803285
CEDs02077Waste PlasticsWaste management, landfill & incinerationPMC11085467
CEDs02079Plastic WasteWaste management, landfill & incinerationPMC9149995
CEDs02108Plastic WastesWaste management, landfill & incinerationPMC5053459
CEDs02221Finished WaterDrinking water & water supplyPMC4782170
CEDs02222Finished Drinking WaterDrinking water & water supplyPMC7908579
CEDs02255WaterAquatic systems & sedimentsPMC4687641 , PMC9156867
CEDs02257WatersAquatic systems & sedimentsPMC5439038 , PMC3269700
CEDs02261Sea WaterAquatic systems & sedimentsPMC6567068
CEDs02264SedimentAquatic systems & sedimentsPMC4498237 , PMC10925796
CEDs02265River WaterAquatic systems & sedimentsPMC8911978
CEDs02268Water SamplesAquatic systems & sedimentsPMC10015408 , PMC11357415
CEDs02269Natural WatersAquatic systems & sedimentsPMC8911978
CEDs02270RiverAquatic systems & sedimentsPMC8540681 , PMC5053459
CEDs02273River SystemsAquatic systems & sedimentsPMC9965297
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC7037149 , PMC6437302
CEDs02278Sediment SurfaceAquatic systems & sedimentsPMC6862134 , PMC6862134
CEDs02280OceanAquatic systems & sedimentsPMC8833669 , PMC3269700
CEDs02286LakeAquatic systems & sedimentsPMC10038118 , PMC13117087
CEDs02289StreamAquatic systems & sedimentsPMC3086346
CEDs02290Freshwater SedimentsAquatic systems & sedimentsPMC11142977
CEDs02291Sediment SamplesAquatic systems & sedimentsPMC8026099
CEDs02293Fresh WaterAquatic systems & sedimentsPMC3269700
CEDs02298Aquatic EcosystemAquatic systems & sedimentsPMC13400221
CEDs02300AquaticAquatic systems & sedimentsPMC5803285
CEDs02315SeaAquatic systems & sedimentsPMC3269700
CEDs02319Lake WaterAquatic systems & sedimentsPMC4782170
CEDs02321Taihu LakeAquatic systems & sedimentsPMC4782170
CEDs02340Water BodyAquatic systems & sedimentsPMC6437302 , PMC9456111
CEDs02379Spring WaterAquatic systems & sedimentsPMC11481666 , PMC5439038
CEDs02396Sediment ParticlesAquatic systems & sedimentsPMC3269700
CEDs02404Blood StreamAquatic systems & sedimentsPMC5429672
CEDs02417Freshwater FishAquatic systems & sedimentsPMC5439038
CEDs02426Surficial SedimentsAquatic systems & sedimentsPMC11142977 , PMC11142977
CEDs02455Yangtze River EstuaryAquatic systems & sedimentsPMC6862134
CEDs02459Artificial SeawaterAquatic systems & sedimentsPMC9185402
CEDs02530Freshwater SedimentAquatic systems & sedimentsPMC11142977 , PMC11142977
CEDs02589AirAir, dust & atmospheric transportPMC9324835 , PMC7796095
CEDs02590DustAir, dust & atmospheric transportPMC11116779
CEDs02591AtmosphereAir, dust & atmospheric transportPMC9324835 , PMC6862134
CEDs02595Particulate PhaseAir, dust & atmospheric transportPMC2677823
CEDs02596Ambient AirAir, dust & atmospheric transportPMC8864147
CEDs02602Outdoor AirAir, dust & atmospheric transportPMC2677823
CEDs02626Suspended Particulate MatterAir, dust & atmospheric transportPMC3269700
CEDs02634Air SamplesAir, dust & atmospheric transportPMC2677823
CEDs02738PaintBuilding & ConstructionPMC10356929 , PMC11142977
CEDs02744ConcreteBuilding & ConstructionPMC5954058
CEDs02847Personal Care ProductsPersonal care & cosmeticsPMC13295432
CEDs02860PerfumesPersonal care & cosmeticsPMC2646121
CEDs02928Household ProductsHousehold itemsPMC11964802 , PMC10356929
CEDs02976Diesel ExhaustEnergy, oil & gasPMC4922648
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC10492480 , PMC2839367
CEDs03012Wastewater EffluentsWastewater, sanitation & biosolidsPMC2839367 , PMC6965340
CEDs03013EffluentsWastewater, sanitation & biosolidsPMC3269700
CEDs03014SewageWastewater, sanitation & biosolidsPMC6437302 , PMC2665886
CEDs03017SludgeWastewater, sanitation & biosolidsPMC3688581 , PMC6862134
CEDs03019Raw WastewaterWastewater, sanitation & biosolidsPMC3269700 , PMC7825564
CEDs03021Wastewater Treatment PlantWastewater, sanitation & biosolidsPMC5803285
CEDs03023Effluent SamplesWastewater, sanitation & biosolidsPMC4782170
CEDs03037WWTP effluentsWastewater, sanitation & biosolidsPMC7552199 , PMC8911978
CEDs03038Wastewater InfluentWastewater, sanitation & biosolidsPMC11509221
CEDs03039Influent WastewaterWastewater, sanitation & biosolidsPMC3269700
CEDs03043WWTPsWastewater, sanitation & biosolidsPMC3552055 , PMC5803285
CEDs03047Wastewater Treatment Plant EffluentsWastewater, sanitation & biosolidsPMC3269700
CEDs03051Sewage PlantWastewater, sanitation & biosolidsPMC3269700 , PMC3269700
CEDs03093BiosolidWastewater, sanitation & biosolidsPMC5803285
CEDs03110Drinking Water Treatment PlantWastewater, sanitation & biosolidsPMC12348938
CEDs03113Sewage EffluentsWastewater, sanitation & biosolidsPMC11153180
CEDs03122Wastewater TreatmentWastewater, sanitation & biosolidsPMC11142977
CEDs03135Biosolids-amended SoilsWastewater, sanitation & biosolidsPMC3269700
CEDs03163Wastewater DischargesWastewater, sanitation & biosolidsPMC3269700
CEDs03169Consumer ProductsHousehold cleaning & consumer productsPMC3086346
CEDs03170SoapsHousehold cleaning & consumer productsPMC2839367
CEDs03182Cleaning AgentHousehold cleaning & consumer productsPMC7355763 , PMC10356929
CEDs03188CleanersHousehold cleaning & consumer productsPMC6790866
CEDs03203TextileTextiles, leather & furnishingsPMC5519652
CEDs03307Urban WaterwaysAutomotive & urban infrastructurePMC12443524
CEDs03331Stormwater PondsAutomotive & urban infrastructurePMC8026099
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansKnownNot Available
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansKnownNot Available
Nuclear receptor subfamily 1 group I member 3 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 3Q14994HumansKnownNot Available
Glutathione S-transferase structureClick to view 3D structureGlutathione S-transferaseQ59721Burkholderia xenovorans (strain LB400)KnownNot Available
Catalase structureClick to view 3D structureCatalaseP04040HumansKnownNot Available
G-protein coupled estrogen receptor 1 structureClick to view 3D structureG-protein coupled estrogen receptor 1Q99527HumansKnownNot Available
Disintegrin and metalloproteinase domain-containing protein 10 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 10O14672HumansKnownNot Available
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansKnownNot Available
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansKnownNot Available
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansKnownNot Available
Click to view 3D structureCytochrome P450 1A1P00185RatKnownNot Available
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 3Q64518Mus musculusPredicted (SEA)
Prediction Confidence Score
0.484
Applicability Domain
0.484
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 structureClick to view 3D structure1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1P08487Bos taurusPredicted (SEA)
Prediction Confidence Score
0.483
Applicability Domain
0.525
Statistical Significance
3.00e-05
Supporting Reference Compounds
3
E-value
0.233548
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)
Prediction Confidence Score
0.415
Applicability Domain
0.613
Statistical Significance
0.0021
Supporting Reference Compounds
182
E-value
16.2705
Click to view 3D structurePolyphenol oxidase 1Q00024Agaricus bisporusPredicted (SEA)
Prediction Confidence Score
0.378
Applicability Domain
0.5
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.484
Statistical Significance
0.0144
Supporting Reference Compounds
593
E-value
112.492
Glutathione reductase structureClick to view 3D structureGlutathione reductaseP06715Escherichia coli (strain K12)KnownNot Available
3-oxoacyl-[acyl-carrier-protein] synthase 1 structureClick to view 3D structure3-oxoacyl-[acyl-carrier-protein] synthase 1P9WQD9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.375
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Click to view 3D structureTyrosinaseO42713Agaricus bisporusPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.613
Statistical Significance
3.40e-04
Supporting Reference Compounds
39
E-value
2.64687
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
0.618
Statistical Significance
0.0058
Supporting Reference Compounds
215
E-value
45.1525
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)
Prediction Confidence Score
0.371
Applicability Domain
0.525
Statistical Significance
0.0079
Supporting Reference Compounds
206
E-value
61.8123
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.484
Statistical Significance
0.0095
Supporting Reference Compounds
506
E-value
73.7232
Troponin C, slow skeletal and cardiac muscles structureClick to view 3D structureTroponin C, slow skeletal and cardiac musclesP63316HumansPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.359
Statistical Significance
3.10e-04
Supporting Reference Compounds
2
E-value
2.41333
Tyrosinase structureClick to view 3D structureTyrosinaseP14679HumansPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.613
Statistical Significance
3.20e-04
Supporting Reference Compounds
29
E-value
2.49118
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.484
Statistical Significance
0.0129
Supporting Reference Compounds
487
E-value
100.114
Histone acetyltransferase KAT2B structureClick to view 3D structureHistone acetyltransferase KAT2BQ92831HumansPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.618
Statistical Significance
3.10e-04
Supporting Reference Compounds
43
E-value
2.41333
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.484
Statistical Significance
0.0124
Supporting Reference Compounds
391
E-value
96.533
Substance-K receptor structureClick to view 3D structureSubstance-K receptorP21452HumansPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.484
Statistical Significance
0.0101
Supporting Reference Compounds
118
E-value
78.3163
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.484
Statistical Significance
0.0062
Supporting Reference Compounds
201
E-value
47.9551
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.484
Statistical Significance
0.0056
Supporting Reference Compounds
201
E-value
43.6734
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.618
Statistical Significance
0.0057
Supporting Reference Compounds
127
E-value
44.4519
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.484
Statistical Significance
0.0162
Supporting Reference Compounds
451
E-value
126.349
SUMO-activating enzyme subunit 1 structureClick to view 3D structureSUMO-activating enzyme subunit 1Q9UBE0HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.618
Statistical Significance
4.00e-05
Supporting Reference Compounds
4
E-value
0.311397
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.375
Statistical Significance
0.0073
Supporting Reference Compounds
175
E-value
57.2192
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.484
Statistical Significance
0.0377
Supporting Reference Compounds
823
E-value
293.803
5,6-dihydroxyindole-2-carboxylic acid oxidase structureClick to view 3D structure5,6-dihydroxyindole-2-carboxylic acid oxidaseP07147Mus musculusPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.5
Statistical Significance
3.00e-05
Supporting Reference Compounds
2
E-value
0.233548
Click to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P16050HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.613
Statistical Significance
0.0011
Supporting Reference Compounds
46
E-value
8.32987
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available