N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide (CED0052515)

Record Information
Version1.0
Creation Date2026-04-06 10:12:44 UTC
Update Date2026-08-17 22:04:01 UTC
SynCED IDCED0052515
Secondary Accession Numbers
  • CHEM122457
Identification
Common NameN-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide
ClassSmall Molecule
Description
N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide belongs to the halopyridines, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C10H11ClN4 and an average molecular weight of 222.68 g/mol. The compound is utilized as a biological and industrial pesticide (PMC12452724 , PMC11769159 ) and serves as a biological insecticide (PMC5363855 , PMC8809956 ). It has been identified in 10 recorded sources, including building and construction materials such as floors and ceilings. It is also found in food, cookware, and food processing contexts, specifically in the processing of fish, the preparation of malt, and molasses and the treatment of molasses. Additionally, the compound is released from electrical and electronic equipment, including magnets, television systems, video games, antennas, and communication cables or conductors.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC10H11ClN4
Average Molecular Mass222.680 g/mol
Monoisotopic Mass222.067 g/mol
CAS Registry Number160430-64-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3
InChI KeyWCXDHFDTOYPNIE-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
  • odorless odour ?
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3900000000-08f724b9c0074d1cf826Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0930000000-38d663f13754f72aa9c7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0930000000-3d4446b10e3a1ce0ff95Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-6d3c216400a0641d1030Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0910000000-3061094ba57bb7e1ceeeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-dc5ad98f71c8cb142e21Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-c099d686780e896125d2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-c3a1a35c418b3572ad3dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3910000000-6cee45edaebacf0697eeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0900000000-6d2de958810c4061a695Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-80fa9e52caa2a534e2deNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-0590000000-3d862634fd3b9194b528Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0910000000-3061094ba57bb7e1ceeeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-6d3c216400a0641d1030Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-dc5ad98f71c8cb142e21Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-c099d686780e896125d2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-c3a1a35c418b3572ad3dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0190000000-cd32ae26c1e5364d337fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0900000000-931eb27be36d3aa301feNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-3900000000-3bf3c11049696e38307bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-1490000000-4f1d7aaa0e87f6c03cb5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0089-9730000000-cdf2654d14b3a3e88322Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-9100000000-a97f2d4246275b1e2d2aNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
221.0 Log mg/kg [120:390]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
dizzinessAssociated With?Not AvailableA sensation of lightheadedness, unsteadiness, turning, spinning or rocking.PMC11573769 , PMC11573769
headacheAssociated With?Not AvailableA disorder characterized by a sensation of marked discomfort in various parts of the head, not confined to the area of distribution of any nerve. (NCI CTCAE)PMC12124114
dyspneaAssociated With?Not AvailableNot AvailablePMC12124114
muscle weaknessAssociated With?Not AvailableA disorder characterized by a reduction in the strength of the muscles. (NCI CTCAE)PMC11573769
Weight lossAssociated With?Not AvailableNot AvailablePMC11094581
PoisoningAssociated With?Not AvailableNot AvailablePMC11573769
CarcinogenesisAssociated With?Not AvailableNot AvailablePMC12838546
diarrheal diseaseAssociated With?Not AvailableNot AvailablePMC12124114
infertility disorderAssociated With?Not AvailableNot AvailablePMC12838546
abnormal involuntary movementAssociated With?Not AvailableNot AvailablePMC11573769
severe headacheAssociated With?Not AvailableNot AvailablePMC11573769
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 managementPMC5363855 , PMC5363855
CEDs000017Atmospheric particulate matter?Atmospheric particulate matter (PM) consists of tiny solid or liquid particles suspended in the air, which can originate from various sources, including industrial emissions, vehicle exhaust, and natural processes.Air, dust & atmospheric transportPMC8235395
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC10222279 , PMC10222279
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC4284396 , PMC7822422
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 supplyPMC11094581 , PMC11094581
CEDs000116Tap water?Tap water can be a potential source of synthetic chemical contamination due to various industrial processes and agricultural runoff.Drinking water & water supplyPMC6797178 , PMC11930883
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 supplyPMC12566725
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 & biosolidsPMC12723015 , PMC12723015
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
CEDs000497Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.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
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
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
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
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
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
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000546Molasses And Treatment Of Molasses?Molasses is a thick, viscous byproduct of sugar production, derived from the extraction of sugar cane or sugar beet juice.Food, food processing & cookwarePubChem
CEDs000547Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.Food, food processing & cookwarePubChem
CEDs000551Processing Fish?Processing fish can lead to synthetic chemical contamination through various stages of production and preservation.Food, food processing & cookwarePubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
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
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
CEDs000578Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.Industrial manufacturing & chemical processingPubChem
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
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
CEDs000597Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.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
CEDs000607Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.Agriculture & land managementPubChem
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
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
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000634Buckles?Buckles, commonly used as fasteners in clothing, accessories, and furniture, can be a source of synthetic chemical contamination due to the materials and coatings employed in their production.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
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
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
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
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
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.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
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
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
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
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
CEDs00867Paddy SoilAgriculture & land managementPMC8809956
CEDs00886Clay SoilAgriculture & land managementPMC8675359
CEDs00912Surface Soil SamplesAgriculture & land managementPMC5750672
CEDs00929Red SoilAgriculture & land managementPMC8809956
CEDs00990Black SoilAgriculture & land managementPMC8809956
CEDs00994Root CropsAgriculture & land managementPMC11094581
CEDs01082PharmaceuticalsHealthcare, pharmaceuticals & veterinary productsPMC10222279
CEDs01143DietFood, food processing & cookwarePMC9968791 , PMC10220970
CEDs01144FoodFood, food processing & cookwarePMC8871106
CEDs01148MilkFood, food processing & cookwarePMC10048192
CEDs01151FruitsFood, food processing & cookwarePMC12694491 , PMC13468484
CEDs01153Breast MilkFood, food processing & cookwarePMC10048192
CEDs01160CerealsFood, food processing & cookwarePMC11094581
CEDs01168Food ProductsFood, food processing & cookwarePMC10856495
CEDs01170EggsFood, food processing & cookwarePMC11094581 , PMC13156203
CEDs01176Food ProductFood, food processing & cookwarePMC7447915
CEDs01181Food ItemsFood, food processing & cookwarePMC11858420
CEDs01185Apple JuiceFood, food processing & cookwarePMC13363344
CEDs01186Fruit JuicesFood, food processing & cookwarePMC12566725
CEDs01198HoneyFood, food processing & cookwarePMC11094581 , PMC11996992
CEDs01199Honey SamplesFood, food processing & cookwarePMC7996329
CEDs01200VegetablesFood, food processing & cookwarePMC4284396 , PMC13326664
CEDs01235Leafy VegetablesFood, food processing & cookwarePMC10316261
CEDs01239TeaFood, food processing & cookwarePMC11094581
CEDs01245Fruit JuiceFood, food processing & cookwarePMC9890379
CEDs01279Vegetable SamplesFood, food processing & cookwarePMC12705285 , PMC7732738
CEDs01280Food of Plant OriginFood, food processing & cookwarePMC11094581 , PMC11094581
CEDs01522Green CoffeeFood, food processing & cookwarePMC12073578
CEDs01673BeebreadFood, food processing & cookwarePMC4284396
CEDs01704Bee BreadFood, food processing & cookwarePMC13410098
CEDs01740Green Tea LeavesFood, food processing & cookwarePMC7732738
CEDs01946Natural Rubber LatexIndustrial manufacturing & chemical processingPMC7960877
CEDs02255WaterAquatic systems & sedimentsPMC12863633 , PMC5363855
CEDs02261Sea WaterAquatic systems & sedimentsPMC10907701 , PMC10907701
CEDs02264SedimentAquatic systems & sedimentsPMC5363855
CEDs02265River WaterAquatic systems & sedimentsPMC11930883
CEDs02268Water SamplesAquatic systems & sedimentsPMC5750672 , PMC5750672
CEDs02270RiverAquatic systems & sedimentsPMC9928825
CEDs02281Water SampleAquatic systems & sedimentsPMC10222279
CEDs02298Aquatic EcosystemAquatic systems & sedimentsPMC10222279
CEDs02305Groundwater SamplesAquatic systems & sedimentsPMC10222279
CEDs02319Lake WaterAquatic systems & sedimentsPMC11930883
CEDs02334Pond WaterAquatic systems & sedimentsPMC6797178
CEDs02354WatershedAquatic systems & sedimentsPMC11227446
CEDs02376PondsAquatic systems & sedimentsPMC13452764
CEDs02377Natural WaterAquatic systems & sedimentsPMC9313366
CEDs02962Coal TarEnergy, oil & gasPMC11973570
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC11930883 , PMC8675359
CEDs03016Simulated WastewaterWastewater, sanitation & biosolidsPMC7822422
CEDs03022Wastewater SamplesWastewater, sanitation & biosolidsPMC5750672
CEDs03031Wastewater SampleWastewater, sanitation & biosolidsPMC12735814
CEDs03158WWTP effluent channelWastewater, sanitation & biosolidsPMC13452764
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 structureAcetylcholine receptor subunit beta-like 2P25162Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.456
Applicability Domain
1.0
Statistical Significance
6.00e-05
Supporting Reference Compounds
13
E-value
0.467095
Click to view 3D structureNeuronal acetylcholine receptor subunit alpha-4P09482Gallus gallusPredicted (SEA)
Prediction Confidence Score
0.454
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
9
E-value
0.311397
Acetylcholine-binding protein structureClick to view 3D structureAcetylcholine-binding proteinP58154Lymnaea stagnalisPredicted (SEA)
Prediction Confidence Score
0.453
Applicability Domain
1.0
Statistical Significance
1.80e-04
Supporting Reference Compounds
20
E-value
1.40129
Soluble acetylcholine receptor structureClick to view 3D structureSoluble acetylcholine receptorQ8WSF8Aplysia californicaPredicted (SEA)
Prediction Confidence Score
0.453
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
13
E-value
0.311397
Click to view 3D structureNeuronal acetylcholine receptor subunit alpha-4O70174Mus musculusPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.382
Statistical Significance
9.00e-05
Supporting Reference Compounds
8
E-value
0.700643
Neuronal acetylcholine receptor subunit alpha-7 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-7P36544HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.302
Statistical Significance
0.017
Supporting Reference Compounds
77
E-value
132.266
Click to view 3D structureNicotinic acetylcholine receptor alpha 5 subunitA9XFY4Musca domesticaPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.304
Statistical Significance
1.70e-04
Supporting Reference Compounds
10
E-value
1.32344
Neuronal acetylcholine receptor subunit alpha-3 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-3P32297HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.302
Statistical Significance
0.0013
Supporting Reference Compounds
13
E-value
10.5096
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.258 Low confidence
Statistical Significance
0.2642
Supporting Reference Compounds
167
E-value
2056.62
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.258 Low confidence
Statistical Significance
0.2705
Supporting Reference Compounds
173
E-value
2106.13
Acetylcholine receptor subunit alpha structureClick to view 3D structureAcetylcholine receptor subunit alphaP02708HumansPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.302
Statistical Significance
0.0021
Supporting Reference Compounds
11
E-value
16.3483
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)
Prediction Confidence Score
0.207
Applicability Domain
0.224 Low confidence
Statistical Significance
0.4775
Supporting Reference Compounds
294
E-value
3717.22
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.215 Low confidence
Statistical Significance
0.2552
Supporting Reference Compounds
199
E-value
1987.02
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.215 Low confidence
Statistical Significance
0.6638
Supporting Reference Compounds
562
E-value
5167.48
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.261 Low confidence
Statistical Significance
0.8569
Supporting Reference Compounds
1660
E-value
6670.59
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.22 Low confidence
Statistical Significance
0.6764
Supporting Reference Compounds
532
E-value
5266.03
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.261 Low confidence
Statistical Significance
0.864
Supporting Reference Compounds
1301
E-value
6726.48
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.258 Low confidence
Statistical Significance
0.3279
Supporting Reference Compounds
141
E-value
2552.91
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.216 Low confidence
Statistical Significance
0.4906
Supporting Reference Compounds
315
E-value
3819.36
Histamine H4 receptor structureClick to view 3D structureHistamine H4 receptorQ9H3N8HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.224 Low confidence
Statistical Significance
0.3296
Supporting Reference Compounds
150
E-value
2565.83
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.224 Low confidence
Statistical Significance
0.6994
Supporting Reference Compounds
507
E-value
5444.46
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)
Prediction Confidence Score
0.201
Applicability Domain
0.224 Low confidence
Statistical Significance
0.8269
Supporting Reference Compounds
811
E-value
6437.35
Short transient receptor potential channel 4 structureClick to view 3D structureShort transient receptor potential channel 4Q9QUQ5Mus musculusPredicted (SEA)
Prediction Confidence Score
0.201
Applicability Domain
0.254 Low confidence
Statistical Significance
0.4429
Supporting Reference Compounds
128
E-value
3448.18
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.203 Low confidence
Statistical Significance
0.2137
Supporting Reference Compounds
77
E-value
1663.72
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.203 Low confidence
Statistical Significance
0.453
Supporting Reference Compounds
206
E-value
3526.26
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available