Diphenyl phosphate (CED0001274)

Record Information
Version1.0
Creation Date2016-05-19 04:46:48 UTC
Update Date2026-08-18 16:15:50 UTC
SynCED IDCED0001274
Secondary Accession Numbers
  • CHEM015251
Identification
Common NameDiphenyl phosphate
ClassSmall Molecule
Description
Diphenyl phosphate (C12H11O4P) is a compound with an average molecular weight of 250.19 g/mol. Diphenyl phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. Industrially, it serves as a catalyst (PMC13486233 ). The compound is found in or released from 16 recorded sources. These include food contact materials used in food, food processing and cookware; tobacco smoke filters and perfumes within detergents and soaps used in household cleaning and consumer products; and fencing, stairs and ramps used in building and construction. It is also associated with electrical and electronic equipment, specifically cores yokes or armatures, electric switches, fixed capacitors and their manufacture, antennas, communication cables or conductors, and six additional sources. Recorded exposure routes for the compound include oral, inhalation, and touch. Regarding plastics, diphenyl phosphate is used in polypropylene and is present in polyvinyl chloride, while its presence in high-density polyethylene remains inconclusive.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
DIPHENYL phosphoric acidGenerator
DiphenoxyphosphinateGenerator
Chemical FormulaC12H11O4P
Average Molecular Mass250.190 g/mol
Monoisotopic Mass250.039 g/mol
CAS Registry Number838-85-7
IUPAC Namediphenoxyphosphinic acid
Traditional Namediphenyl phosphate
SMILESOP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
InChI IdentifierInChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
InChI KeyASMQGLCHMVWBQR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aryl phosphodiesters. These are aryl phosphates in which the phosphate is esterified at exactly two positions.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct ParentAryl phosphodiesters
Alternative Parents
Substituents
  • Aryl phosphodiester
  • Phenoxy compound
  • Benzenoid
  • Monocyclic benzene moiety
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility1.36 g/LALOGPS
logP1.67ALOGPS
logP3.05ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)0.87ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area55.76 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity63.17 m³·mol⁻¹ChemAxon
Polarizability22.84 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0fdo-9360000000-e32007f913398f535461Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-2290000000-b2103baca67f77506c2eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udj-0980000000-894add44c1b5c2c8119bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-2290000000-94a8786173cd174f088bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0090000000-7889a2930a7000bd178dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0090000000-ddfb4bca7349d0ba3e74Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0090000000-e061feffe090ca895f33Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0090000000-e98c4fabc10663e11c9bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0290000000-30a46d08db244651427bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0090000000-ac83379abfaa5b4addfeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0090000000-c6f780302851bd413884Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-23392a99965f30bf6656Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-06118339fc64a9dc462fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0090000000-c5d6b62c705bcd3c3ea9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-1290000000-6f07cb4977da9e0fbca7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0k96-9300000000-9aa0939040e164a49bb0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0490000000-0f5a7b6bfca908f84bb4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udj-2980000000-63a6550362e714414a71Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-5900000000-16f1628200229865a21cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0090000000-9599d61d1b1be7e6e7dbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0zfr-0890000000-457363ccbe51fbb30c4aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05qa-6940000000-b6d4f625758885c79165Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-3ddff4b808b2db664613Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-3ddff4b808b2db664613Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0900000000-5a502f5eef678022037cNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
949.0 Log mg/kg [530:1700]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
hypertensionAssociated With?Not AvailableA disorder characterized by a pathological increase in blood pressure; a repeatedly elevation in the blood pressure exceeding 140 over 90 mm Hg. (NCI CTCAE)PMC10499440
type 2 diabetes mellitusAssociated With?Not AvailableNot AvailablePMC10301313
diabetes mellitusAssociated With?increaseA 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)PMC10499440
diabetes mellitusAssociated With?Not 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)PMC10499440
hyperactivityAssociated With?Not AvailableA condition characterized by increased movement, impulsive actions, and a shorter attention span, and being easily distracted.PMC7855444
hyperactivityAssociated With?increaseA condition characterized by increased movement, impulsive actions, and a shorter attention span, and being easily distracted.PMC8631201
attention deficit hyperactivity disorderAssociated With?Not AvailableNot AvailablePMC7855444
hepatic fibrosisAssociated With?Not AvailableNot AvailablePMC12259707
Oxidative StressAssociated With?Not AvailableNot AvailablePMC13159974
Oxidative StressAssociated With?decreaseNot AvailablePMC13273688
Skinfold ThicknessAssociated With?positiveNot AvailablePMC7488675
Premature birthAssociated With?inverseNot AvailablePMC9884151 , PMC9884151
thyroid gland disorderAssociated With?Not AvailableNot AvailablePMC10884265
overactive bladder syndromeAssociated With?Not AvailableNot AvailablePMC10666646
Memory, Short-TermAssociated With?decreaseNot AvailablePMC12885133 , PMC8493874
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 managementPMC13273688
CEDs000018Indoor dust?Indoor dust is a complex mixture of particles that accumulates in indoor environments, consisting of materials such as skin flakes, hair, textile fibers, and particles from outdoor sources.Air, dust & atmospheric transportPMC12538321
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC9160344
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 supplyPMC8511988
CEDs000132Cables?Cables, commonly utilized for electrical transmission and data transfer, often contain synthetic chemicals such as polyvinyl chloride (PVC) and various insulating materials.Electrical & Electronic EquipmentPMC8443793
CEDs000164Toys?Toys can be a source of synthetic chemical contamination due to the materials and additives used in their production.Household itemsPMC9971821
CEDs000494Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.Food, food processing & cookwareNot Available
CEDs000496Fencing?Fencing materials, particularly those used in construction and landscaping, can be a source of synthetic chemical contamination due to the treatments and coatings applied for durability and weather resistance.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
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
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
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
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
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
CEDs000532Selectors?Selectors are components used in various electronic devices to control the flow of electrical signals.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
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
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
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
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.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
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
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
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
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
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
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000655Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000658Touch Fasteners?Touch fasteners, commonly known as hook-and-loop fasteners, are composed of synthetic materials such as nylon or polyester.Textiles, leather & furnishingsPubChem
CEDs000659Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.Textiles, leather & furnishingsPubChem
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
CEDs000665Fire Extinguishers?Fire extinguishers contain various synthetic chemicals designed to suppress flames and prevent the spread of fire.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
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
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
CEDs000692Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.Building & ConstructionPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
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
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01145BeveragesFood, food processing & cookwarePMC12364790
CEDs01151FruitsFood, food processing & cookwarePMC12364790
CEDs01153Breast MilkFood, food processing & cookwarePMC12538321 , PMC9683935
CEDs01160CerealsFood, food processing & cookwarePMC12364790
CEDs01171MeatFood, food processing & cookwarePMC12364790
CEDs01200VegetablesFood, food processing & cookwarePMC12364790
CEDs01801Food PackagingPackagingPMC13159974 , PMC9971821
CEDs01821Food Packaging MaterialsPackagingPMC13273688
CEDs01897Plastic SamplesIndustrial manufacturing & chemical processingPMC4819935
CEDs01902Plastic ProductsIndustrial manufacturing & chemical processingPMC11964802
CEDs01962PVC plasticsIndustrial manufacturing & chemical processingPMC7143504
CEDs02255WaterAquatic systems & sedimentsPMC8237562 , PMC11901468
CEDs02303Mangrove SedimentAquatic systems & sedimentsPMC10856239 , PMC10856239
CEDs02589AirAir, dust & atmospheric transportPMC7143504 , PMC7143504
CEDs02590DustAir, dust & atmospheric transportPMC8669523
CEDs02845CosmeticsPersonal care & cosmeticsPMC9696275
CEDs02847Personal Care ProductsPersonal care & cosmeticsPMC13273688
CEDs03017SludgeWastewater, sanitation & biosolidsPMC6318040
CEDs03200Carpet BackingTextiles, leather & furnishingsPMC8443793
CEDs03230ShoesTextiles, leather & furnishingsPMC8443793
CEDs03325Car InteriorsAutomotive & urban infrastructurePMC8443793
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 structureUDP-glucuronosyltransferase 1A1P22309HumansKnownNot Available
Click to view 3D structureUDP-glucuronosyltransferase 1A8Q9HAW9HumansKnownNot Available
Click to view 3D structureUDP-glucuronosyltransferase 1A3P35503HumansKnownNot Available
Click to view 3D structureUDP-glucuronosyltransferase 1A6P19224HumansKnownNot Available
Click to view 3D structureUDP-glucuronosyltransferase 1A9O60656HumansKnownNot Available
Mandelate racemase structureClick to view 3D structureMandelate racemaseP11444Pseudomonas putidaPredicted (SEA)
Prediction Confidence Score
0.393
Applicability Domain
0.393
Statistical Significance
4.00e-05
Supporting Reference Compounds
1
E-value
0.311397
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 structureClick to view 3D structurePhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2Q6P549Mus musculusPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.346
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Type II inositol 1,4,5-trisphosphate 5-phosphatase structureClick to view 3D structureType II inositol 1,4,5-trisphosphate 5-phosphataseP32019HumansPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.346
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.375
Statistical Significance
0.0189
Supporting Reference Compounds
407
E-value
146.979
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.375
Statistical Significance
0.0246
Supporting Reference Compounds
472
E-value
191.665
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.371
Statistical Significance
0.0209
Supporting Reference Compounds
332
E-value
163.094
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.371
Statistical Significance
0.0271
Supporting Reference Compounds
372
E-value
210.894
Kallikrein-1 structureClick to view 3D structureKallikrein-1P06870HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.319
Statistical Significance
0.0115
Supporting Reference Compounds
74
E-value
89.2931
Kallikrein-4 structureClick to view 3D structureKallikrein-4Q9Y5K2HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.319
Statistical Significance
0.0075
Supporting Reference Compounds
14
E-value
58.3091
Kallikrein-8 structureClick to view 3D structureKallikrein-8O60259HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.319
Statistical Significance
0.0024
Supporting Reference Compounds
22
E-value
18.606
Kallikrein-2 structureClick to view 3D structureKallikrein-2P20151HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.319
Statistical Significance
0.0035
Supporting Reference Compounds
11
E-value
27.3251
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.371
Statistical Significance
0.0145
Supporting Reference Compounds
193
E-value
113.271
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.319
Statistical Significance
0.0508
Supporting Reference Compounds
331
E-value
395.785
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.313
Statistical Significance
0.0443
Supporting Reference Compounds
284
E-value
344.638
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.294 Low confidence
Statistical Significance
0.0239
Supporting Reference Compounds
151
E-value
186.215
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.302
Statistical Significance
0.0623
Supporting Reference Compounds
400
E-value
485.39
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.319
Statistical Significance
0.0376
Supporting Reference Compounds
206
E-value
292.713
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 structureClick to view 3D structurePhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2O15357HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.357
Statistical Significance
4.00e-05
Supporting Reference Compounds
11
E-value
0.311397
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.294 Low confidence
Statistical Significance
0.0476
Supporting Reference Compounds
195
E-value
370.484
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.371
Statistical Significance
0.0363
Supporting Reference Compounds
242
E-value
282.826
Prostatic acid phosphatase structureClick to view 3D structureProstatic acid phosphataseP15309HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.297 Low confidence
Statistical Significance
2.40e-04
Supporting Reference Compounds
2
E-value
1.86838
GIM-1 protein structureClick to view 3D structureGIM-1 proteinQ704V1Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.297 Low confidence
Statistical Significance
0.0014
Supporting Reference Compounds
2
E-value
11.0546
Metallo-beta-lactamase type 2 structureClick to view 3D structureMetallo-beta-lactamase type 2P26918Aeromonas hydrophilaPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.345
Statistical Significance
3.00e-05
Supporting Reference Compounds
4
E-value
0.233548
Glutamyl endopeptidase structureClick to view 3D structureGlutamyl endopeptidaseP0C1U8Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.273 Low confidence
Statistical Significance
0.0062
Supporting Reference Compounds
1
E-value
48.4222
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.302
Statistical Significance
0.0756
Supporting Reference Compounds
292
E-value
588.618
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID13282
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available