Cyprodinil (CED0009181)

Record Information
Version1.0
Creation Date2013-04-25 07:56:50 UTC
Update Date2026-08-19 05:42:53 UTC
SynCED IDCED0009181
Secondary Accession Numbers
  • CHEM002781
  • T3D3820
Identification
Common NameCyprodinil
ClassSmall Molecule
Description
Cyprodinil is an exogenous solid with the formula C14H15N3 and an average molecular weight of 225.29 g/mol. Cyprodinil belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. It is used industrially as a pesticide (PMC13367377 ) and a fungicide (PMC3282909 ). The compound is found in or released from 29 recorded sources, including agriculture and land management (pesticides), drinking water and water supply (drinking water), and building and construction materials such as ceilings, floors, ladders, stairs and ramps, and tents or canopies. It is also associated with food, food processing and cookware, including the preparation of vinegar, wort, malt, and wine or sparkling wine, as well as molasses and the treatment of molasses. Additionally, it is found in electrical and electronic equipment, such as amplifiers, antennas, auxiliary devices, coils, and electric hearing aids. Recorded exposure routes for the compound include inhalation, oral, and touch. Cyprodinil has 16 recorded protein targets, including C-C motif chemokine 2 (CCL2), ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38), muscarinic acetylcholine receptor M2 (CHRM2), muscarinic acetylcholine receptor M3 (CHRM3), and 12 other proteins.
Contaminant Type
  • Amine
  • Food Toxin
  • Fungicide
  • Metabolite
  • Organic Compound
  • Pesticide
  • Synthetic Compound
Chemical Structure
Synonyms
ValueSource
2-Anilino-4-cyclopropyl-6-methylpyrimidineChEBI
4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamineChEBI
HSDB 7019ChEBI
4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine, 9ciHMDB
4-Cyclopropyl-6-methyl-N-phenylpyrimidin-2-amineHMDB
CGA 219417HMDB
ChorusHMDB
UnixHMDB
Chemical FormulaC14H15N3
Average Molecular Mass225.289 g/mol
Monoisotopic Mass225.127 g/mol
CAS Registry Number121552-61-2
IUPAC Name4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine
Traditional Namecyprodinil
SMILESCC1=CC(=NC(NC2=CC=CC=C2)=N1)C1CC1
InChI IdentifierInChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
InChI KeyHAORKNGNJCEJBX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassAniline and substituted anilines
Direct ParentAniline and substituted anilines
Alternative Parents
Substituents
  • Aniline or substituted anilines
  • Aminopyrimidine
  • Pyrimidine
  • Heteroaromatic compound
  • Azacycle
  • Organoheterocyclic compound
  • Secondary amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting Point76°C
Boiling PointNot Available
Solubility0.013 mg/mL at 25°C
Predicted Properties
PropertyValueSource
Water Solubility0.097 g/LALOGPS
logP3.81ALOGPS
logP3.21ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)13.63ChemAxon
pKa (Strongest Basic)3.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.81 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity67.74 m³·mol⁻¹ChemAxon
Polarizability25.79 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0007-6950000000-f17fce1a96ed5bde30a5Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0490000000-8f88a41f0dfe7344c604Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-fd3a61903d40198df7d4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-f52ea394c62447ba0a2cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-2d15c5dd9f21ee25a8b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0290000000-43ced9830abf3b0889c1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3960000000-a124b587828c84b2b65bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052f-6920000000-f79eca057fa37add62ddNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-cf30b6321a10e54bc297Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-fd3a61903d40198df7d4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-93b094da23dbe116b3a2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0290000000-b6d9ca82e7d5916c4497Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3960000000-99c3dc00031128590eb0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052f-6910000000-f5544481895e21e260c5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0490000000-660d822f8bfc799c77f3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-11fe6b653adee3f721e6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-bf6704c419a85744dd1fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0290000000-88482c33019c893eab43Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-054o-6920000000-14c1278d0b8354809764Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9400000000-c7e923496f3dbedce541Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-08gi-1930000000-5807adcaa57cf7c28092Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0190000000-2b68995f39796bfaf48cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00lu-0920000000-2749492f294a4dd02165Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9500000000-1a2f9540b0715c550f65Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-fd3a61903d40198df7d4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052f-8920000000-a880e9817fdd14ef2c99Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3890000000-091a7ce6421b6ecde854Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-33dd820e35411ff66a5aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0390000000-d1e53048c7b814ba4184Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00lu-0920000000-a3adc1c87a01197fb3bdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-f52ea394c62447ba0a2cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-cac218bbb142533a2e80Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-e83e3ba837b0ff4d7b8eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00pl-0940000000-86d218110691a08a6188Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3970000000-e72dfd7f534a2af3c31eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9500000000-b8507bfea78d45566f1fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3790000000-a65864643026ccf59ccaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0190000000-a795892524c0f59f0020Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0290000000-f404490cad667b990d14Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-d9ff90b6f034502b78caNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052f-6920000000-71ec3477f58b302ebc4bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-cf30b6321a10e54bc297Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-1939a9e1c01329bc05d3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0390000000-642c739ef310e5571569Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052f-6910000000-758bffeedad4dafc91a3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3960000000-ae5395cc3f947e3b71d9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0190000000-287419b36dc02932bb06Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-2490000000-1e7448c847d477d1ea81Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kf-9400000000-27beedea7c7afe310998Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0090000000-6e30703a878d7ac95d29Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-3690000000-df70377ed56503413ca3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9710000000-53724384041859054ef3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-32411e7cbb99b25d126cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-32411e7cbb99b25d126cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0rr0-2930000000-2e5e1770b34fe10718c3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0090000000-ff7f62f4d103a87b156cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-1290000000-a60433a5436669172381Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014l-7900000000-fedf437ec2eb075b3c2cNot AvailableView Spectrum
MSMS Spectrumsplash10-00fr-4290000000-f088b7fef390e663204dNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
947.0 Log mg/kg [530:1700]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
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 transportPMC9658446
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 supplyNot Available
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
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
CEDs000498Ladders?Ladders, commonly used in various construction and maintenance activities, can become a source of synthetic chemical contamination due to the materials and coatings applied during their manufacture and use.Building & ConstructionPubChem
CEDs000500Stairs And Ramps?Stairs and ramps in construction are often treated with various synthetic chemicals to enhance durability, slip resistance, and weather resistance.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
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentPubChem
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
CEDs000508Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.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
CEDs000516Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.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
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
CEDs000525Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.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
CEDs000528Microphones?Microphones, as components in various electronic devices, can be sources of synthetic chemical contamination due to the materials used in their construction.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
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
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
CEDs000548Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.Food, food processing & cookwarePubChem
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwarePubChem
CEDs000550Preparation Of Wort?The preparation of wort involves the extraction of sugars from malted grains, a crucial step in the brewing process.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
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.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
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
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
CEDs000592Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.Marine, shipping & aquaculturePubChem
CEDs000593Nautical Instruments?Nautical instruments, often utilized for navigation and monitoring in marine environments, can be a source of synthetic chemical contamination due to the materials and processes involved in their manufacture and operation.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
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
CEDs000620Card Games?Card games often utilize synthetic materials for playing cards and associated gaming equipment, which may contain various chemicals such as polyvinyl chloride (PVC), plastics, and dyes.Recreation & sports surfacesPubChem
CEDs000622Game Accessories?Game accessories, such as synthetic turf, athletic shoes, and other sports-related equipment, often incorporate various synthetic chemicals in their production.Recreation & sports surfacesPubChem
CEDs000624Merry Go Rounds?Merry-go-rounds, commonly found in playgrounds and recreational areas, can be a source of synthetic chemical contamination primarily due to the materials used in their construction.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
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.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
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
CEDs000656Snap Fasteners?Snap fasteners, commonly used in clothing and upholstery, can be made from various synthetic materials, including plastics and metal alloys.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
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
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
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionPubChem
CEDs000694Cheese Making?Cheese making involves the fermentation of milk, utilizing bacteria and enzymes to coagulate proteins and develop flavor.Food, food processing & cookwarePubChem
CEDs000695Treatment Of Milk Or Cream?The treatment of milk or cream involves various processes such as pasteurization, homogenization, and the addition of preservatives to enhance shelf life and safety.Food, food processing & cookwarePubChem
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
CEDs000707Books?Books can be a source of synthetic chemical contamination due to the use of various chemicals in their production and preservation processes.Paper, pulp & fiber productsPubChem
CEDs000722Leaf Turners?Leaf turners are mechanical devices used in the processing of plant materials to create pulp for paper and fiber products.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
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
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
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01200VegetablesFood, food processing & cookwarePMC12390986
CEDs01235Leafy VegetablesFood, food processing & cookwarePMC10316261
CEDs01302WineFood, food processing & cookwarePMC9957501
CEDs02669Aerosol ParticlesAir, dust & atmospheric transportPMC10882970
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 structureVoltage-gated inwardly rectifying potassium channel KCNH3Q9ULD8HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.34
Statistical Significance
4.00e-04
Supporting Reference Compounds
1
E-value
3.11397
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.365
Statistical Significance
0.072
Supporting Reference Compounds
996
E-value
560.359
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.36
Statistical Significance
0.0716
Supporting Reference Compounds
1029
E-value
557.4
Click to view 3D structureAcetolactate synthaseQ8S3J0Bromus tectorumPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.315
Statistical Significance
2.40e-04
Supporting Reference Compounds
1
E-value
1.86838
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.365
Statistical Significance
0.1021
Supporting Reference Compounds
1157
E-value
794.685
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.365
Statistical Significance
0.1066
Supporting Reference Compounds
1158
E-value
829.717
Son of sevenless homolog 2 structureClick to view 3D structureSon of sevenless homolog 2Q07890HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.304
Statistical Significance
0.0015
Supporting Reference Compounds
1
E-value
11.4438
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.357
Statistical Significance
0.1035
Supporting Reference Compounds
905
E-value
806.051
MAP/microtubule affinity-regulating kinase 3 structureClick to view 3D structureMAP/microtubule affinity-regulating kinase 3P27448HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.357
Statistical Significance
0.0783
Supporting Reference Compounds
627
E-value
609.482
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.313
Statistical Significance
0.1194
Supporting Reference Compounds
961
E-value
929.598
Insulin-like growth factor 1 receptor structureClick to view 3D structureInsulin-like growth factor 1 receptorP08069HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.357
Statistical Significance
0.0995
Supporting Reference Compounds
785
E-value
774.522
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.313
Statistical Significance
0.138
Supporting Reference Compounds
1301
E-value
1074.71
Cruzipain structureClick to view 3D structureCruzipainP25779Trypanosoma cruziPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.354
Statistical Significance
0.0113
Supporting Reference Compounds
65
E-value
88.0475
Click to view 3D structureReplicative DNA helicaseQ9HUN3Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.293 Low confidence
Statistical Significance
0.0023
Supporting Reference Compounds
1
E-value
17.6718
Serine/threonine-protein kinase Chk2 structureClick to view 3D structureSerine/threonine-protein kinase Chk2O96017HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.357
Statistical Significance
0.0822
Supporting Reference Compounds
537
E-value
639.998
Lysine--tRNA ligase structureClick to view 3D structureLysine--tRNA ligaseQ8IDJ8Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.327
Statistical Significance
0.0055
Supporting Reference Compounds
39
E-value
42.9728
Putative uncharacterized protein pk7 structureClick to view 3D structurePutative uncharacterized protein pk7O96214Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.327
Statistical Significance
0.0056
Supporting Reference Compounds
40
E-value
43.5177
Calcium-dependent protein kinase 4 structureClick to view 3D structureCalcium-dependent protein kinase 4Q8IBS5Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.327
Statistical Significance
0.0079
Supporting Reference Compounds
52
E-value
61.7344
Click to view 3D structureMitogen-activated protein kinaseQ25917Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.327
Statistical Significance
0.0055
Supporting Reference Compounds
38
E-value
42.9728
Proline--tRNA ligase structureClick to view 3D structureProline--tRNA ligaseQ8I5R7Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.327
Statistical Significance
0.0056
Supporting Reference Compounds
39
E-value
43.2842
Click to view 3D structureCdk-related protein kinase 6O77239Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.327
Statistical Significance
0.0094
Supporting Reference Compounds
43
E-value
73.1004
Click to view 3D structureCalcium-dependent protein kinase 1P62344Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.327
Statistical Significance
0.0313
Supporting Reference Compounds
123
E-value
243.746
Inhibitor of nuclear factor kappa-B kinase subunit beta structureClick to view 3D structureInhibitor of nuclear factor kappa-B kinase subunit betaO14920HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.357
Statistical Significance
0.0643
Supporting Reference Compounds
389
E-value
500.259
Receptor tyrosine-protein kinase erbB-4 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-4Q15303HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.357
Statistical Significance
0.1046
Supporting Reference Compounds
591
E-value
814.069
Serine/threonine-protein kinase PLK3 structureClick to view 3D structureSerine/threonine-protein kinase PLK3Q9H4B4HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.357
Statistical Significance
0.0958
Supporting Reference Compounds
561
E-value
746.107
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 structureClick to view 3D structureADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1P28907HumansKnownNot Available
C-C motif chemokine 2 structureClick to view 3D structureC-C motif chemokine 2P13500HumansKnownNot Available
Urokinase plasminogen activator surface receptor structureClick to view 3D structureUrokinase plasminogen activator surface receptorQ03405HumansKnownNot Available
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansKnownNot Available
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansKnownNot Available
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansKnownNot Available
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansKnownNot Available
Prostaglandin E2 receptor EP2 subtype structureClick to view 3D structureProstaglandin E2 receptor EP2 subtypeP43116HumansKnownNot Available
Click to view 3D structureUDP-glucuronosyltransferase 1A1P22309HumansKnownNot Available
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansKnownNot Available
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansKnownNot Available
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansKnownNot Available
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansKnownNot Available
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansKnownNot Available
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansKnownNot Available
Sulfotransferase 2A1 structureClick to view 3D structureSulfotransferase 2A1Q06520HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0034853
FooDB IDFDB013419
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID77885
ChEBI ID4045
PubChem Compound ID86367
Kegg Compound IDC10914
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
  1. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.