Aziridine (CED0004326)

Record Information
Version1.0
Creation Date2016-05-19 01:37:32 UTC
Update Date2026-08-22 09:50:18 UTC
SynCED IDCED0004326
Secondary Accession Numbers
  • CHEM004210
Identification
Common NameAziridine
ClassSmall Molecule
Description
Aziridine (C2H5N) is an organic compound with an average molecular weight of 43.07 g/mol. Aziridine belongs to the aziridines, a class of organoheterocyclic compounds within the organic compounds. In industrial applications, it serves as a lubricant (PMC7285097 ), a reducing agent (PMC11843508 ), and a stabilizer (PMC11843508 ). Regarding health effects, it is used as a treatment for pancreatic cancer (PMC11655426 ). The compound is found in or released from 35 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, coils, communication cables or conductors, conductors or conductive bodies characterised by the conductive materials, and cores yokes or armatures, among 18 other sources. It is present in household cleaning and consumer products, including bleaching agents, cigar cigarettes, soap detergents, soap dispensers, and perfumes within detergents and soaps. In the sector of food, food processing and cookware, it is linked to the treatment of hops, processing meats, food preservation, and fermentation processes for beer. Additionally, it is found in building and construction materials such as tents or canopies and ceilings.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
AzacyclopropaneChEBI
DimethyleneimineChEBI
EIChEBI
EthyleneimineChEBI
EthylenimineChEBI
Aziridine, conjugate acidMeSH
Chemical FormulaC2H5N
Average Molecular Mass43.068 g/mol
Monoisotopic Mass43.042 g/mol
CAS Registry Number151-56-4
IUPAC Nameaziridine
Traditional Nameaziridine
SMILESC1CN1
InChI IdentifierInChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2
InChI KeyNOWKCMXCCJGMRR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aziridines. These are organic compounds containing a saturated three-member heterocycle with one amino group and two methylene groups.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAziridines
Sub ClassNot Available
Direct ParentAziridines
Alternative Parents
Substituents
  • Azacycle
  • Secondary amine
  • Secondary aliphatic amine
  • Aziridine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
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 ?
  • white colour ?
  • odorless odour ?
  • transparent colour ?
  • colorless colour ?
  • yellowing colour ?
  • pale yellow colour ?
  • flexible touch ?
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility641 g/LALOGPS
logP-1.1ALOGPS
logP-0.36ChemAxon
logS1.17ALOGPS
pKa (Strongest Basic)8.04ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area12.03 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity12.72 m³·mol⁻¹ChemAxon
Polarizability4.9 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
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 Spectrumsplash10-0006-9000000000-88d0fa60ecb1fdd4d592Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-da24bc95f25456d86541Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-002f-9000000000-a743ed93536e427ea0e5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-e69b8575d79834dc0800Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-d63723f6af76aeac1f24Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-6d29609ca27e1ce7c3b6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-9cf36baccac69593c69fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-9cf36baccac69593c69fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-65d82120b6decd8ce3acNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-24de0ec09a27e39d6663Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-24de0ec09a27e39d6663Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-d2247bfdcb7c8df7e6b2Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
36.0 Log mg/kg [20:64]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
inflammationAssociated With?Not AvailableNot AvailablePMC10528782 , PMC12062838
cancerNot AvailableNot 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.PMC8672028
Alzheimer's diseaseAssociated With?Not AvailableA neurodegenerative disease which causes neural atrophy, leading to dementia and memory loss.PMC7500703
diabetes mellitusNot AvailableNot AvailableA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC12021792 , PMC4277102
neutropeniaAssociated With?Not AvailableA disorder characterized by an abnormally low level of neutrophils.PMC11813879
hemolysisHas Therapeutic Effect OnNot AvailableNot AvailablePMC8621177
abdominal painNot AvailableNot AvailableA disorder characterized by a sensation of marked discomfort in the abdominal region. (NCI CTCAE)PMC6766080
nauseaAssociated With?Not AvailableA disorder characterized by a queasy sensation and/or the urge to vomit. (NCI CTCAE)PMC8485412
vomitingAssociated With?Not AvailableA disorder characterized by the reflexive act of ejecting the contents of the stomach through the mouth. (NCI CTCAE)PMC8485412
thrombosisNot AvailableNot AvailableA formation of a blood clot inside a blood vessel, obstructing the flow of blood through the circulatory system.PMC10798815
thrombosisHas Therapeutic Effect OnNot AvailableA formation of a blood clot inside a blood vessel, obstructing the flow of blood through the circulatory system.PMC4922589
acute myeloid leukemiaAssociated With?Not AvailableAcute myeloid leukemia (AML) is a cancer of the myeloid line of blood cells, characterized by the rapid growth of abnormal cells that build up in the bone marrow and blood and interfere with normal blood cell production. Symptoms may include feeling tired, shortness of breath, easy bruising and bleeding, and increased risk of infection. Occasionally, spread may occur to the brain, skin, or gums. As an acute leukemia, AML progresses rapidly and is typically fatal within weeks or months if left untreated. Risk factors include smoking, previous chemotherapy or radiation therapy, myelodysplastic syndrome, and exposure to the chemical benzene. AML affected about one million people and resulted in 147,000 deaths globally. It most commonly occurs in older adults. Males are affected more often than females.PMC7500703
acute myeloid leukemiaNot AvailableNot AvailableAcute myeloid leukemia (AML) is a cancer of the myeloid line of blood cells, characterized by the rapid growth of abnormal cells that build up in the bone marrow and blood and interfere with normal blood cell production. Symptoms may include feeling tired, shortness of breath, easy bruising and bleeding, and increased risk of infection. Occasionally, spread may occur to the brain, skin, or gums. As an acute leukemia, AML progresses rapidly and is typically fatal within weeks or months if left untreated. Risk factors include smoking, previous chemotherapy or radiation therapy, myelodysplastic syndrome, and exposure to the chemical benzene. AML affected about one million people and resulted in 147,000 deaths globally. It most commonly occurs in older adults. Males are affected more often than females.PMC10384998 , PMC13262246
pancreatic cancerNot AvailableNot AvailableAn endocrine gland cancer located in the pancreas. (DO)PMC11655426
B-cell lymphomaNot AvailableNot AvailableA non-Hodgkin lymphoma that has material basis in B cells. (DO)PMC7504821
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.PMC9287721 , PMC13119245
allergic diseaseAssociated With?decreaseAllergic 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.PMC7993857
pancreatitisAssociated With?Not AvailableNot AvailablePMC7973716
cardiovascular disorderNot AvailableNot AvailableNot AvailablePMC12021792
FibrosisAssociated With?Not AvailableNot AvailablePMC10528782
inflammatory diseaseNot AvailableNot AvailableNot AvailablePMC12021792
bacterial infectious diseaseNot AvailableNot AvailableNot AvailablePMC8621177
nervous system disorderNot AvailableNot AvailableNot AvailablePMC8659040
Deep venous thrombosisAssociated With?Not AvailableNot AvailablePMC7973716
liver disorderAssociated With?Not AvailableNot AvailablePMC7973716
constipation disorderNot AvailableNot AvailableNot AvailablePMC6766080
infectious diseaseNot AvailableNot AvailableNot AvailablePMC10798815
infectious diseaseHas Therapeutic Effect OnNot AvailableNot AvailablePMC12870424
infectious diseaseAssociated With?increaseNot AvailablePMC11813879
ApoptosisHas Therapeutic Effect OnNot AvailableNot AvailablePMC13329767
Cell SurvivalHas Therapeutic Effect OnNot AvailableNot AvailablePMC8180297
Cell SurvivalAssociated With?Not AvailableNot AvailablePMC6591268
gastrointestinal system diseaseAssociated With?Not AvailableNot AvailablePMC9492703
anaphylaxisAssociated With?Not AvailableNot AvailablePMC11200630 , PMC9155194
anaphylaxisAssociated With?increaseNot AvailablePMC11480972
Disease ProgressionAssociated With?Not AvailableNot AvailablePMC4850080
Wound HealingHas Therapeutic Effect OnNot AvailableNot AvailablePMC13320338
Wound HealingNot AvailableNot AvailableNot AvailablePMC3762890
Wound HealingAssociated With?Not AvailableNot AvailablePMC3762890
Osteoporotic FracturesNot AvailableNot AvailableNot AvailablePMC9255814
Irregular menstruationAssociated With?Not AvailableNot AvailablePMC12686313
hypersensitivity reaction diseaseAssociated With?Not AvailableNot AvailablePMC11902043 , PMC12086510
hypersensitivity reaction diseaseAssociated With?decreaseNot AvailablePMC7993857 , PMC12805611
hypersensitivity reaction diseaseAssociated With?increaseNot AvailablePMC13361338 , PMC12536396
ImmunityAssociated With?Not AvailableNot AvailablePMC11632656
Anaphylactic shockAssociated With?Not AvailableNot AvailablePMC10091760 , PMC8154264
Antibody FormationAssociated With?Not AvailableNot AvailablePMC11598056
aphasiaAssociated With?Not AvailableNot AvailablePMC7973716
crampAssociated With?Not AvailableNot AvailablePMC8485412
BioaccumulationAssociated With?Not AvailableNot AvailablePMC7504730
Bone RegenerationNot AvailableNot AvailableNot AvailablePMC3762890
LacerationsNot AvailableNot AvailableNot AvailablePMC7997729
Tissue EngineeringAssociated With?Not AvailableNot AvailablePMC12184082
AzotemiaAssociated With?Not AvailableNot AvailablePMC9866639
OliguriaAssociated With?Not AvailableNot AvailablePMC9866639
hand-foot syndromeAssociated With?Not AvailableNot AvailablePMC7123643 , PMC7123643
Erythrocyte AggregationAssociated With?Not AvailableNot AvailablePMC4917246
Regenerative MedicineAssociated With?Not AvailableNot AvailablePMC3762890
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
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 managementPMC12864776
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC11200630
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
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 productsPMC11644497
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingPMC10114905
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
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsPMC11694096 , PMC9004762
CEDs000464Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.Waste management, landfill & incinerationPMC9752785
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 & biosolidsPMC13468172
CEDs000490Personal care & cosmeticsNot Available
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
CEDs000503Tents Or Canopies?Tents and canopies used in various applications can be a source of synthetic chemical contamination primarily due to the materials from which they are made.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
CEDs000508Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.Electrical & Electronic EquipmentPubChem
CEDs000510Communication Cables Or Conductors?Communication cables or conductors are essential components in the transmission of data and signals in various applications, including telecommunications and networking.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
CEDs000513Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.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
CEDs000523Gas Filled Discharge Tubes With Solid Cathode?Gas Filled Discharge Tubes with Solid Cathodes are electrical components that facilitate the flow of current by ionizing gas within a sealed tube.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
CEDs000526Loudspeakers?Loudspeakers, as components in audio systems, can be sources of synthetic chemical contamination primarily due to the materials used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000527Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.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
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000531Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.Electrical & Electronic EquipmentPubChem
CEDs000532Selectors?Selectors are components used in various electronic devices to control the flow of electrical signals.Electrical & Electronic EquipmentPubChem
CEDs000535Superconducting Magnets And Superconducting Coils?Superconducting magnets and coils are utilized in various applications that require strong magnetic fields, such as magnetic resonance imaging (MRI) and particle accelerators.Electrical & Electronic EquipmentPubChem
CEDs000536Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines?Superconductive or hyperconductive conductors, including cables and transmission lines, are materials that exhibit zero electrical resistance under specific conditions, typically at low temperatures.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
CEDs000538Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.Electrical & Electronic EquipmentPubChem
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.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
CEDs000553Treatment Of Hops?Hops, a key ingredient in brewing and food flavoring, can be a source of synthetic chemical contamination due to various agricultural practices.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
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
CEDs000564Soap Dispensers?Soap dispensers, commonly used for dispensing liquid soaps and sanitizers, can become a source of synthetic chemical contamination due to the materials used in their construction and the products they dispense.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
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
CEDs000591Lifeboats?Lifeboats, used for emergency evacuation at sea, can be a source of synthetic chemical contamination due to the materials and substances used in their construction and maintenance.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
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000601Lawn Mowers?Lawn mowers, particularly those powered by gasoline, can be a source of synthetic chemical contamination due to the combustion of fossil fuels and the use of engine oils.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
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
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
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
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
CEDs000640Embroidering And Tufting?Embroidering and tufting processes often involve the use of synthetic chemicals such as dyes, adhesives, and finishing agents.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
CEDs000648Nitro Dyes?Nitro dyes are synthetic colorants that contain nitro groups (-NO2) in their chemical structure.Textiles, leather & furnishingsPubChem
CEDs000652Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.Textiles, leather & furnishingsPubChem
CEDs000653Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.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
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
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
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000672Light Than Air Aircraft?Light than air aircraft, such as dirigibles and airships, utilize lifting gases like helium or hydrogen for buoyancy.Aviation & AerospacePubChem
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
CEDs000689Glass Fibres?Glass fibres are composed of fine strands of glass, commonly utilized for their tensile strength and lightweight properties.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
CEDs000697Submarines?Submarines, while essential for military and research purposes, can be a source of synthetic chemical contamination due to their use of various industrial chemicals.Marine, shipping & aquaculturePubChem
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
CEDs000703Blackboards?Blackboards, traditionally made from slate or coated wood, can also be produced using synthetic materials that may contain various chemicals.Paper, pulp & fiber productsPubChem
CEDs000714Embossing Machines?Embossing machines are industrial devices used to create raised patterns or designs on materials, including paper and fiber products.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
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, PMC12110880
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
CEDs00751FeedAgriculture & land managementPMC7559267
CEDs00777Feed SolutionAgriculture & land managementPMC6744495
CEDs01078OintmentsHealthcare, pharmaceuticals & veterinary productsPMC10073610
CEDs01080CapsuleHealthcare, pharmaceuticals & veterinary productsPMC6473828 , PMC12693107
CEDs01081TabletsHealthcare, pharmaceuticals & veterinary productsPMC9827389 , PMC10857269
CEDs01086ImplantsHealthcare, pharmaceuticals & veterinary productsPMC3930621 , PMC3930621
CEDs01089Dental CompositesHealthcare, pharmaceuticals & veterinary productsPMC13470711
CEDs01091Pharmaceutical FormulationsHealthcare, pharmaceuticals & veterinary productsPMC6664118 , PMC10975561
CEDs01095Implant SurfaceHealthcare, pharmaceuticals & veterinary productsPMC9479141
CEDs01099Cylindrical TabletsHealthcare, pharmaceuticals & veterinary productsPMC11054165
CEDs01105Orthopedic ImplantsHealthcare, pharmaceuticals & veterinary productsPMC11694096
CEDs01137mRNA vaccinesHealthcare, pharmaceuticals & veterinary productsPMC11200630
CEDs01138Pharmaceutical Dosage FormsHealthcare, pharmaceuticals & veterinary productsPMC12693107
CEDs01141Capsule WallHealthcare, pharmaceuticals & veterinary productsPMC6473828
CEDs01144FoodFood, food processing & cookwarePMC7993857 , PMC11632656
CEDs01157FoodsFood, food processing & cookwarePMC7127103
CEDs01213FoodstuffsFood, food processing & cookwarePMC10482075
CEDs01244BeefFood, food processing & cookwarePMC10482075
CEDs01259Meat ProductsFood, food processing & cookwarePMC12114463
CEDs01262Edible CoatingsFood, food processing & cookwarePMC11858934
CEDs01392PorkFood, food processing & cookwarePMC10482075
CEDs01405Edible FilmsFood, food processing & cookwarePMC7918079 , PMC12562613
CEDs01797PackagingPackagingPMC11479223
CEDs01812ContainersPackagingPMC11479223
CEDs01863Active PackagingPackagingPMC10772727
CEDs01879ResinIndustrial manufacturing & chemical processingPMC9127747 , PMC11592189
CEDs01886PlasticIndustrial manufacturing & chemical processingPMC9640709
CEDs01897Plastic SamplesIndustrial manufacturing & chemical processingPMC12864776
CEDs01914Plastic SurfaceIndustrial manufacturing & chemical processingPMC11150417
CEDs01949Resin-based CompositesIndustrial manufacturing & chemical processingPMC9468580
CEDs01955Thermoplastic PolymersIndustrial manufacturing & chemical processingPMC8773444
CEDs01982Bioplastic FilmsIndustrial manufacturing & chemical processingPMC11085313
CEDs01992Photocurable ResinIndustrial manufacturing & chemical processingPMC10648652
CEDs02184Recycled PlasticsWaste management, landfill & incinerationPMC11150417
CEDs02255WaterAquatic systems & sedimentsPMC2926810 , PMC10456794
CEDs02257WatersAquatic systems & sedimentsPMC7788598
CEDs02261Sea WaterAquatic systems & sedimentsPMC7602512
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC11200630
CEDs02277Freshwater SystemsAquatic systems & sedimentsPMC12656598
CEDs02291Sediment SamplesAquatic systems & sedimentsPMC12422275
CEDs02298Aquatic EcosystemAquatic systems & sedimentsPMC11200630
CEDs02404Blood StreamAquatic systems & sedimentsPMC7504730
CEDs02489Reservoir SolutionAquatic systems & sedimentsPMC6289173
CEDs02667Air-water InterfaceAir, dust & atmospheric transportPMC10782589 , PMC5166603
CEDs02743Asphalt MixturesBuilding & ConstructionPMC12113609
CEDs02757Cement PastesBuilding & ConstructionPMC10006873
CEDs02845CosmeticsPersonal care & cosmeticsPMC7127103 , PMC7993857
CEDs02847Personal Care ProductsPersonal care & cosmeticsPMC7993857 , PMC7993857
CEDs02854ShampooPersonal care & cosmeticsPMC7993857 , PMC7592713
CEDs02855Cosmetic ProductPersonal care & cosmeticsPMC7993857
CEDs02856Cosmetic FormulationsPersonal care & cosmeticsPMC7993857
CEDs02862ShampoosPersonal care & cosmeticsPMC6181144
CEDs02866MoisturizersPersonal care & cosmeticsPMC7993857
CEDs02880MakeupPersonal care & cosmeticsPMC7993857
CEDs02928Household ProductsHousehold itemsPMC8496955
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC11435267 , PMC12521420
CEDs03018Municipal WastewaterWastewater, sanitation & biosolidsPMC7788598
CEDs03169Consumer ProductsHousehold cleaning & consumer productsPMC7993857 , PMC10146661
CEDs03171SoapHousehold cleaning & consumer productsPMC7993857
CEDs03203TextileTextiles, leather & furnishingsPMC11879428
CEDs03258Flax FabricsTextiles, leather & furnishingsPMC6315363
CEDs03422Antifouling CoatingsMarine, shipping & aquaculturePMC5413964
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.25 Low confidence
Statistical Significance
0.5138
Supporting Reference Compounds
541
E-value
4000.05
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.25 Low confidence
Statistical Significance
0.47
Supporting Reference Compounds
528
E-value
3659.07
Click to view 3D structure5-hydroxytryptamine receptor 1BP28564Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.25 Low confidence
Statistical Significance
0.2339
Supporting Reference Compounds
154
E-value
1821.28
Click to view 3D structureD(1A) dopamine receptorP18901Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.25 Low confidence
Statistical Significance
0.2555
Supporting Reference Compounds
206
E-value
1989.2
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.25 Low confidence
Statistical Significance
0.3363
Supporting Reference Compounds
180
E-value
2618.15
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.192 Low confidence
Statistical Significance
0.8187
Supporting Reference Compounds
536
E-value
6373.59
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.192 Low confidence
Statistical Significance
0.8958
Supporting Reference Compounds
953
E-value
6973.5
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.192 Low confidence
Statistical Significance
0.9138
Supporting Reference Compounds
955
E-value
7113.55
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.192 Low confidence
Statistical Significance
0.8607
Supporting Reference Compounds
562
E-value
6700.87
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.192 Low confidence
Statistical Significance
0.9186
Supporting Reference Compounds
1103
E-value
7151.54
Click to view 3D structure5-hydroxytryptamine receptor 5AP30966Mus musculusPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.208 Low confidence
Statistical Significance
0.0529
Supporting Reference Compounds
14
E-value
411.589
5-hydroxytryptamine receptor 7 structureClick to view 3D structure5-hydroxytryptamine receptor 7P34969HumansPredicted (SEA)
Prediction Confidence Score
0.182
Applicability Domain
0.192 Low confidence
Statistical Significance
0.8832
Supporting Reference Compounds
565
E-value
6875.49
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.177
Applicability Domain
0.192 Low confidence
Statistical Significance
0.9507
Supporting Reference Compounds
823
E-value
7401.51
5-hydroxytryptamine receptor 5A structureClick to view 3D structure5-hydroxytryptamine receptor 5AP47898HumansPredicted (SEA)
Prediction Confidence Score
0.175
Applicability Domain
0.192 Low confidence
Statistical Significance
0.8141
Supporting Reference Compounds
225
E-value
6337.47
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.17
Applicability Domain
0.192 Low confidence
Statistical Significance
0.9554
Supporting Reference Compounds
593
E-value
7437.48
Click to view 3D structure5-hydroxytryptamine receptor 7P32305Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.17
Applicability Domain
0.192 Low confidence
Statistical Significance
0.6194
Supporting Reference Compounds
115
E-value
4821.67
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorQ28838Bos taurusPredicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.217 Low confidence
Statistical Significance
0.2363
Supporting Reference Compounds
32
E-value
1839.97
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.185 Low confidence
Statistical Significance
0.8587
Supporting Reference Compounds
297
E-value
6684.6
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.192 Low confidence
Statistical Significance
0.9752
Supporting Reference Compounds
861
E-value
7592.17
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.227 Low confidence
Statistical Significance
0.9623
Supporting Reference Compounds
385
E-value
7491.35
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.192 Low confidence
Statistical Significance
0.9442
Supporting Reference Compounds
294
E-value
7350.52
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.179 Low confidence
Statistical Significance
0.9296
Supporting Reference Compounds
380
E-value
7236.86
Guanine nucleotide-binding protein G(o) subunit alpha structureClick to view 3D structureGuanine nucleotide-binding protein G(o) subunit alphaP09471HumansPredicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.172 Low confidence
Statistical Significance
0.017
Supporting Reference Compounds
2
E-value
132.032
Catalase structureClick to view 3D structureCatalaseP04040HumansKnownNot Available
Click to view 3D structureLactase/phlorizin hydrolaseQ02401Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.19 Low confidence
Statistical Significance
0.001
Supporting Reference Compounds
7
E-value
8.01847
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.227 Low confidence
Statistical Significance
0.9742
Supporting Reference Compounds
373
E-value
7584.3
Albumin structureClick to view 3D structureAlbuminP02768HumansKnownNot Available
Cytochrome c structureClick to view 3D structureCytochrome cP99999HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0248809
FooDB IDFDB003941
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkGlucosidases
Chemspider ID8682
ChEBI ID30969
PubChem Compound IDNot Available
Kegg Compound IDC11687
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available