Ochratoxin A (CED0002919)

Record Information
Version1.0
Creation Date2009-11-13 22:25:18 UTC
Update Date2026-08-20 05:04:05 UTC
SynCED IDCED0002919
Secondary Accession Numbers
  • CHEM002581
  • T3D3605
Identification
Common NameOchratoxin A
ClassSmall Molecule
Description
Ochratoxin A belongs to the ochratoxins and related substances, a class of phenylpropanoids and polyketides within the organic compounds. This exogenous compound has the formula C20H18ClNO6 and an average molecular weight of 403.81 g/mol. At room temperature, it exists as a solid. It is identified as a toxin (PMC5486318 ), a mycotoxin (PMC11620267 , PMC12567793 ), a nephrotoxin, a carcinogenic agent, and a teratogenic agent. Additionally, it serves as a calcium channel blocker and is a metabolite of Aspergillus and Penicillium (PMC5486318 ). Ochratoxin A is found in various sources, including electrical and electronic equipment such as cell phones, batteries, capacitors, printed circuit boards, and wires and cables. It is also associated with healthcare, pharmaceuticals, and veterinary products like medical devices and antibiotics; textiles, leather, and furnishings including synthetic textiles and carpets and rugs; and lubricants used in energy, oil, gas, and industrial manufacturing. It is also found in food packaging and the preparation of malt, vinegar, wort, and wine or sparkling wine. Exposure routes include oral, inhalation, and touch. The compound interacts with several protein targets. It acts as an uncompetitive inhibitor of succinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrial (SDHD) and succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (SDHB). It also inhibits renal phosphoenolpyruvate carboxykinase, cytosolic [GTP] (PCK1). Furthermore, certain metabolites of ochratoxin A can form DNA adducts, and some cytochrome P-450 enzymes, such as CYP2C9, metabolize the compound into more cytotoxic compounds capable of forming these adducts.
Contaminant Type
  • Amide
  • Amine
  • Ester
  • Ether
  • Food Toxin
  • Fungal Toxin
  • Metabolite
  • Mycotoxin
  • Natural Compound
  • Organic Compound
  • Organochloride
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC20H18ClNO6
Average Molecular Mass403.813 g/mol
Monoisotopic Mass403.082 g/mol
CAS Registry Number303-47-9
IUPAC Name2-{[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid
Traditional Name2-{[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid
SMILESCC1CC2=C(Cl)C=C(C(O)=NC(CC3=CC=CC=C3)C(O)=O)C(O)=C2C(=O)O1
InChI IdentifierInChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)
InChI KeyRWQKHEORZBHNRI-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentGlutamine and derivatives
Alternative Parents
Substituents
  • Glutamine or derivatives
  • Fatty acyl
  • Benzenoid
  • Fatty amide
  • Dicarboxylic acid or derivatives
  • Monocyclic benzene moiety
  • Carboxylic acid anhydride
  • Primary carboxylic acid amide
  • Carboxamide group
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic Effects
  • blue colour ?
  • white colour ?
  • odorless odour ?
Physical Properties
StateSolid
AppearanceCrystals from xylene. Exhibits green fluorescence. (2)
Experimental Properties
PropertyValue
Melting Point169°C
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.026 g/LALOGPS
logP3.66ALOGPS
logP5.43ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)3.26ChemAxon
pKa (Strongest Basic)0.14ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area116.42 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity102.29 m³·mol⁻¹ChemAxon
Polarizability39.19 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0006-8029000000-d1bf01a02fb90e9a4b65Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000l-0490000000-9a04e8c0462d1c96809bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0094000000-c2ab0c40cb596b683899Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4r-0090000000-546b30ed135b3b25ddefNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052u-0090000000-2068ef10c89919fbfb5fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0094000000-2d6cba74ee0469c26202Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0014900000-467d3c8ff084d3ddb7f8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000l-0490000000-5b15816e701a6cdedad7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0zfr-5328900000-bb6ff8935be11e6eba85Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-053l-2259000000-f59d898f61dc363b9df8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9410000000-3d2f33580d5bdfc5b412Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pb9-0019500000-d12f604ac4aad770e948Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-114i-1449200000-49a8c330112595e2a6a7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9220000000-9315be65c28edeb93241Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0014900000-281f3e41572a5688329bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052r-0493100000-5ff60809a74a8f9eccebNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ukc-1940000000-3adbd5dc0d55a73549c2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0307900000-6789ab041535acae6b8eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-7895200000-9cc414002f922433d1b7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fsu-5790000000-ff412cab49c6facab300Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
20.0 mg/kg RatLD50OralexperimentalNot Available3
12600.0 ug/kg RatLD50IntraperitonealexperimentalNot Available3
12750.0 ug/kg RatLD50IntravenousexperimentalNot Available3
46.0 mg/kg MouseLD50OralexperimentalNot Available3
8235.0 Log mg/kg [4600:15000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityOchratoxin A has been shown to be weakly mutagenic, possibly by induction of oxidative DNA damage. The nephrotoxin ochratoxin A (OTA) causes a reduction of glomerular filtration rate (GFR) and of para-aminohippuric acid (PAH) clearance. It is a nephrotoxin which blocks plasma membrane anion conductance in Madin-Darby canine kidney (MDCK) cells. Some cytochrome P-450 enzymes, such as CYP2C9, are known to metabolize ochratoxin A into more cytotoxic compounds capable of forming DNA adducts. (4, 7)
Carcinogenicity (IARC Classification)2B, possibly carcinogenic to humans. (9)
Minimum Risk LevelNot Available
SymptomsMight cause respiratory irritation. (1)
TreatmentCare is symptomatic and supportive. (1)
Health Effects
Health EffectRelationshipDirectionDescriptionReference
inflammationAssociated With?Not AvailableNot AvailablePMC9503121 , PMC12285105
cancerAssociated With?Not AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC11015381 , PMC13098440
cancerAssociated With?increaseCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC13297485
kidney diseaseAssociated With?Not AvailableA urinary system disease that is located in the kidney. (DO)PMC8876995 , PMC8876995
kidney diseaseElevated in Blood InincreaseA urinary system disease that is located in the kidney. (DO)PMC8228748
Alzheimer's diseaseAssociated With?Not AvailableA neurodegenerative disease which causes neural atrophy, leading to dementia and memory loss.PMC12197389 , PMC11203094
anemiaAssociated With?Not AvailableA disorder characterized by a reduction in the amount of hemoglobin in 100 ml of blood. Signs and symptoms of anemia may include pallor of the skin and mucous membranes, shortness of breath, palpitations of the heart, soft systolic murmurs, lethargy, and fatigability. (NCI CTCAE)PMC12197697
diarrheaAssociated With?Not AvailableA disorder characterized by an increase in frequency and/or loose or watery bowel movements. (NCI CTCAE)PMC7232242
liver cancerAssociated With?Not AvailableLiver cancer, also known as hepatic cancer and primary hepatic cancer, is cancer that starts in the liver. Cancer which has spread from elsewhere to the liver, known as liver metastasis, is more common than that which starts in the liver. Symptoms of liver cancer may include a lump or pain in the right side below the rib cage, swelling of the abdomen, yellowish skin, easy bruising, weight loss and weakness.("Adult Primary Liver Cancer Treatment (PDQ®)–Patient Version". NCI. 6 July 2016. Archived from the original on 2 October 2016. Retrieved 29 September 2016) The leading cause of liver cancer is cirrhosis due to hepatitis B, hepatitis C or alcohol.(PMID: 25530442) The most common types of liver cancer are hepatocellular carcinoma (HCC), which makes up 80% of cases, and cholangiocarcinoma.(World Cancer Report 2014. World Health Organization. 2014. pp. Chapter 5.6. ISBN 978-9283204299) Globally, as of 2010, liver cancer resulted in 754,000 deaths, up from 460,000 in 1990, making it the third leading cause of cancer death after lung and stomach.(PMID: 23245604) In 2012, it represented 7% of cancer diagnoses in men, the 5th most diagnosed cancer that year.(World Cancer Report 2014. International Agency for Research on Cancer, World Health Organization. 2014. ISBN 978-92-832-0432-9)PMC11736777 , PMC13297485
necrosisAssociated With?Not AvailableA disorder characterized as a form of cell injury which results in the premature death of cells in living tissue by autolysis.PMC11813880
hepatitisAssociated With?Not AvailableA disorder characterized by an inflammation of the liver. (NCI CTCAE)PMC12683134
chronic kidney diseaseAssociated With?Not AvailableA disorder characterized by gradual and usually permanent damage/loss of kidney function resulting in renal failure. (NCI CTCAE)PMC11203094 , PMC7143392
testicular cancerAssociated With?Not AvailableA male reproductive system cancer that is located in the testicles. (DO)PMC8228748
diseaseAssociated With?Not AvailableNot AvailablePMC7511826
attention deficit hyperactivity disorderAssociated With?Not AvailableNot AvailablePMC13211488
neurodegenerative diseaseAssociated With?Not AvailableA central nervous system disease that results in the progressive deterioration of function or structure of neurons. (DO)PMC11462967
kidney failureAssociated With?Not AvailableNot AvailablePMC8363598 , PMC11884562
anorexiaAssociated With?Not AvailableNot AvailablePMC7232242
Toxic encephalopathyAssociated With?Not AvailableNot AvailablePMC5408187 , PMC12197389
Toxic encephalopathyAssociated With?decreaseNot AvailablePMC12683134
Toxic encephalopathyAssociated With?increaseNot AvailablePMC13420008
chronic fatigue syndromeAssociated With?Not AvailableA syndrome of unknown etiology. Chronic fatigue syndrome (CFS) is a clinical diagnosis characterized by an unexplained persistent or relapsing chronic fatigue that is of at least six months' duration, is not the result of ongoing exertion, is not substantially alleviated by rest, and results in substantial reduction of previous levels of occupational, educational, social, or personal activities. Common concurrent symptoms of at least six months duration include impairment of memory or concentration, diffuse pain, sore throat, tender lymph nodes, headaches of a new type, pattern, or severity, and nonrestorative sleep. The etiology of CFS may be viral or immunologic. Neurasthenia and fibromyalgia may represent related disorders. Also known as myalgic encephalomyelitis. (NCI Thesaurus)PMC7132263
kidney cancerAssociated With?Not AvailableA urinary system cancer that is located in the kidney. (DO)PMC9914209 , PMC11898784
carcinomaAssociated With?increaseNot AvailablePMC6162615
Abnormality of mitochondrial metabolismAssociated With?increaseNot AvailablePMC7919288
Abnormality of mitochondrial metabolismAssociated With?Not AvailableNot AvailablePMC5408187 , PMC11620267
Oxidative StressAssociated With?Not AvailableNot AvailablePMC12197389 , PMC8363598
Oxidative StressAssociated With?decreaseNot AvailablePMC5746416
Oxidative StressAssociated With?increaseNot AvailablePMC11813880
DNA DamageAssociated With?Not AvailableNot AvailablePMC5408187 , PMC11620267
FibrosisAssociated With?Not AvailableNot AvailablePMC11203094
Growth DisordersAssociated With?Not AvailableNot AvailablePMC9321388
DeathAssociated With?decreaseNot AvailablePMC9146908
Body WeightAssociated With?decreaseNot AvailablePMC12197697
Genomic InstabilityAssociated With?Not AvailableNot AvailablePMC3821564 , PMC12858599
kidney disorderElevated in Blood InincreaseNot AvailablePMC3153256
kidney disorderAssociated With?Not AvailableNot AvailablePMC8363598 , PMC8363598
NeoplasmsAssociated With?Not AvailableNot AvailablePMC8876995 , PMC11884562
CarcinogenesisAssociated With?Not AvailableNot AvailablePMC7919288
CarcinogenesisAssociated With?increaseNot AvailablePMC8363598
NeuroinflammationAssociated With?Not AvailableNot AvailablePMC12197389
autistic disorderAssociated With?Not AvailableNot AvailablePMC13420008
immune system disorderAssociated With?Not AvailableNot AvailablePMC9321388
Cell SurvivalAssociated With?Not AvailableNot AvailablePMC9146908
Cell SurvivalAssociated With?decreaseNot AvailablePMC9146908
acute kidney injuryAssociated With?Not AvailableNot AvailablePMC11203094
Mental deteriorationAssociated With?Not AvailableNot AvailablePMC13211488
Carcinoma, HepatocellularAssociated With?increaseNot AvailablePMC6162615
Respiratory Tract InfectionsAssociated With?increaseNot AvailablePMC12344582
hemorrhageAssociated With?Not AvailableNot AvailablePMC11813880
neural tube defectAssociated With?Not AvailableNot AvailablePMC13297485
mycotoxicosisAssociated With?Not AvailableNot AvailablePMC6962185
liver and intrahepatic bile duct neoplasmAssociated With?Not AvailableNot AvailablePMC12197389
Immunosuppression TherapyAssociated With?Not AvailableNot AvailablePMC5941016 , PMC11736777
Chromosomal InstabilityAssociated With?Not AvailableNot AvailablePMC7150844
Balkan nephropathyAssociated With?Not AvailableNot AvailablePMC8876995 , PMC8363598
gallbladder cancerAssociated With?Not AvailableNot AvailablePMC5221640
Respiratory Tract DiseasesAssociated With?Not AvailableNot AvailablePMC7132263
MyotoxicityAssociated With?Not AvailableNot AvailablePMC9263741
urinary system neoplasmAssociated With?Not AvailableNot AvailablePMC9503121 , PMC9914209
urinary system neoplasmElevated in Blood InincreaseNot AvailablePMC3798870
Typified by somatic mosaicismAssociated With?Not AvailableNot AvailablePMC8599504
urinary bladder neoplasmAssociated With?Not AvailableNot AvailablePMC7074356
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
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 managementPMC13024847 , PMC4690114
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC4154213 , PMC4154213
CEDs000116Tap water?Tap water can be a potential source of synthetic chemical contamination due to various industrial processes and agricultural runoff.Drinking water & water supplyPMC9503121
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 supplyPMC9268381
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000306Antibiotics?Antibiotics are synthetic or semi-synthetic compounds used to treat bacterial infections in humans and animals.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
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
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
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
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
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
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
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
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
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
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
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs00748Animal FeedAgriculture & land managementPMC12197389 , PMC11125880
CEDs00749CornAgriculture & land managementPMC10537406 , PMC10537406
CEDs00750Poultry FeedsAgriculture & land managementPMC3153269
CEDs00751FeedAgriculture & land managementPMC7919288 , PMC7919288
CEDs00752Feed IngredientsAgriculture & land managementPMC3153269 , PMC3153269
CEDs00753Agricultural SoilAgriculture & land managementPMC4690114
CEDs00755MaizeAgriculture & land managementPMC5063913 , PMC8871106
CEDs00756BarleyAgriculture & land managementPMC5063913 , PMC239569
CEDs00757Corn GritsAgriculture & land managementPMC5063913
CEDs00763Fish FeedAgriculture & land managementPMC11946512 , PMC7150860
CEDs00765Agricultural ProductsAgriculture & land managementPMC9146908 , PMC11620267
CEDs00769SilageAgriculture & land managementPMC7150844
CEDs00771Commercial FeedAgriculture & land managementPMC6632116
CEDs00773CropAgriculture & land managementPMC4805677 , PMC9503121
CEDs00775FeedsAgriculture & land managementPMC8876995 , PMC8876995
CEDs00778SoybeansAgriculture & land managementPMC11462967 , PMC3798870
CEDs00799Tropical SoilAgriculture & land managementPMC8363598
CEDs00805Soil Organic MatterAgriculture & land managementPMC4690114
CEDs00806Agricultural CropsAgriculture & land managementPMC8228748
CEDs00815Maize KernelsAgriculture & land managementPMC12345644
CEDs00817Feed SamplesAgriculture & land managementPMC8876995 , PMC11125880
CEDs00820Ground CornAgriculture & land managementPMC7910969 , PMC11934074
CEDs00823SorghumAgriculture & land managementPMC11266927 , PMC5486318
CEDs00831Finished FeedsAgriculture & land managementPMC9866187 , PMC3496991
CEDs00849Poultry FeedAgriculture & land managementPMC12192523 , PMC12192523
CEDs00866SoybeanAgriculture & land managementPMC3153269 , PMC11757229
CEDs00868Barley GrainsAgriculture & land managementPMC3153269
CEDs00869Corn SamplesAgriculture & land managementPMC8876995 , PMC10675009
CEDs00883Compound FeedAgriculture & land managementPMC8469335
CEDs00884Feed MaterialsAgriculture & land managementPMC4773798 , PMC4549740
CEDs00889Agricultural CommoditiesAgriculture & land managementPMC8876995 , PMC10379110
CEDs00890Swine FeedAgriculture & land managementPMC8876995
CEDs00895Finished FeedAgriculture & land managementPMC6669473 , PMC7150860
CEDs00896PastureAgriculture & land managementPMC8310091
CEDs00901Corn KernelsAgriculture & land managementPMC11934074
CEDs00910Cattle FeedAgriculture & land managementPMC11125880
CEDs00921Maize MealAgriculture & land managementPMC5408221 , PMC11203094
CEDs00923Complete FeedAgriculture & land managementPMC10976275 , PMC12031601
CEDs00937Maize GrainAgriculture & land managementPMC11884562
CEDs00940Corn Gluten MealAgriculture & land managementPMC9589091 , PMC13024847
CEDs00954Pig FeedAgriculture & land managementPMC3153269 , PMC5941016
CEDs00961Feed MaterialAgriculture & land managementPMC12561714
CEDs00974Corn MealAgriculture & land managementPMC5408221 , PMC5408221
CEDs00977Compound FeedsAgriculture & land managementPMC6071188 , PMC3496991
CEDs00984Maize SilageAgriculture & land managementPMC9027405 , PMC9175326
CEDs01013Cattle FeedsAgriculture & land managementPMC3496991 , PMC3496991
CEDs01024Corn-based ProductsAgriculture & land managementPMC11620267 , PMC10380067
CEDs01034Animal FeedstuffsAgriculture & land managementPMC3798870
CEDs01036Shrimp FeedAgriculture & land managementPMC11946512
CEDs01037Feed Raw MaterialsAgriculture & land managementPMC6669473 , PMC9589091
CEDs01051VineyardAgriculture & land managementPMC12567864 , PMC4690114
CEDs01143DietFood, food processing & cookwarePMC9231272 , PMC3153269
CEDs01144FoodFood, food processing & cookwarePMC7919288 , PMC9146908
CEDs01145BeveragesFood, food processing & cookwarePMC7204880 , PMC7204880
CEDs01147BeerFood, food processing & cookwarePMC12197389 , PMC3847711
CEDs01148MilkFood, food processing & cookwarePMC10745519 , PMC8876995
CEDs01151FruitsFood, food processing & cookwarePMC5794868 , PMC12567864
CEDs01152Food ChainFood, food processing & cookwarePMC9231272 , PMC11620267
CEDs01153Breast MilkFood, food processing & cookwarePMC11620267 , PMC7150860
CEDs01154Human MilkFood, food processing & cookwarePMC9779431 , PMC8622594
CEDs01155Red WineFood, food processing & cookwarePMC3847711 , PMC3847711
CEDs01157FoodsFood, food processing & cookwarePMC8876995 , PMC8876995
CEDs01158Wheat BranFood, food processing & cookwarePMC9146908 , PMC9146908
CEDs01160CerealsFood, food processing & cookwarePMC10537406 , PMC10537406
CEDs01161Cereal GrainsFood, food processing & cookwarePMC12845980 , PMC5486318
CEDs01162Dairy ProductsFood, food processing & cookwarePMC9231272 , PMC7017588
CEDs01165Tea SamplesFood, food processing & cookwarePMC9318285 , PMC9318285
CEDs01168Food ProductsFood, food processing & cookwarePMC9146908 , PMC12197389
CEDs01170EggsFood, food processing & cookwarePMC8876995 , PMC3153269
CEDs01171MeatFood, food processing & cookwarePMC8876995 , PMC8876995
CEDs01175CheesesFood, food processing & cookwarePMC10301060 , PMC10301060
CEDs01177BreadFood, food processing & cookwarePMC12567793 , PMC12567793
CEDs01179Cereal Based ProductsFood, food processing & cookwarePMC7215233
CEDs01181Food ItemsFood, food processing & cookwarePMC11620267
CEDs01182Coffee BeansFood, food processing & cookwarePMC5063913 , PMC3847711
CEDs01183WheatFood, food processing & cookwarePMC5063913 , PMC5063913
CEDs01185Apple JuiceFood, food processing & cookwarePMC13297400
CEDs01186Fruit JuicesFood, food processing & cookwarePMC3798870 , PMC8145492
CEDs01187RiceFood, food processing & cookwarePMC10745519 , PMC5862147
CEDs01189ChocolateFood, food processing & cookwarePMC5063913 , PMC11620267
CEDs01190Green Coffee BeansFood, food processing & cookwarePMC5063913 , PMC11620267
CEDs01191CoffeeFood, food processing & cookwarePMC5063913 , PMC11620267
CEDs01192Grape JuicesFood, food processing & cookwarePMC3847711 , PMC9957501
CEDs01193Dairy FeedFood, food processing & cookwarePMC7232242 , PMC7761711
CEDs01194CheeseFood, food processing & cookwarePMC11019184 , PMC9231272
CEDs01200VegetablesFood, food processing & cookwarePMC11884562 , PMC8145492
CEDs01201DietsFood, food processing & cookwarePMC8469335 , PMC3153269
CEDs01202Olive OilFood, food processing & cookwarePMC8619327 , PMC11435247
CEDs01208FruitFood, food processing & cookwarePMC5794868 , PMC11898784
CEDs01210Food SupplementsFood, food processing & cookwarePMC8780597
CEDs01211Food MatrixFood, food processing & cookwarePMC12037664
CEDs01213FoodstuffsFood, food processing & cookwarePMC5408187 , PMC3798874
CEDs01214BeersFood, food processing & cookwarePMC9455588 , PMC11898784
CEDs01215Beer SamplesFood, food processing & cookwarePMC3847711 , PMC3847711
CEDs01220Processed FoodsFood, food processing & cookwarePMC5794868
CEDs01223Green TeaFood, food processing & cookwarePMC10454378 , PMC10454378
CEDs01229Wheat GrainsFood, food processing & cookwarePMC3699366 , PMC3153269
CEDs01230Wheat SamplesFood, food processing & cookwarePMC3344258 , PMC3847711
CEDs01231WinesFood, food processing & cookwarePMC11019184 , PMC3847711
CEDs01237Fish MuscleFood, food processing & cookwarePMC7232351
CEDs01239TeaFood, food processing & cookwarePMC10454378 , PMC10454378
CEDs01241FoodstuffFood, food processing & cookwarePMC10671907
CEDs01243Alcoholic BeveragesFood, food processing & cookwarePMC8888082
CEDs01245Fruit JuiceFood, food processing & cookwarePMC12567864 , PMC11898784
CEDs01248Wheat FlourFood, food processing & cookwarePMC3847711 , PMC11462967
CEDs01253Dietary SupplementsFood, food processing & cookwarePMC7558626
CEDs01258Processed MeatFood, food processing & cookwarePMC7956122
CEDs01259Meat ProductsFood, food processing & cookwarePMC8876995 , PMC8876995
CEDs01260Meat ProductFood, food processing & cookwarePMC9315684
CEDs01263Food SourcesFood, food processing & cookwarePMC11620267
CEDs01269Fermented FoodsFood, food processing & cookwarePMC9910295
CEDs01274Infant FormulaFood, food processing & cookwarePMC11820458 , PMC8228748
CEDs01276Food SamplesFood, food processing & cookwarePMC7435851 , PMC7435851
CEDs01284Cereal-based ProductsFood, food processing & cookwarePMC12567597 , PMC10537527
CEDs01285Corn FlourFood, food processing & cookwarePMC5408185
CEDs01286Wine SamplesFood, food processing & cookwarePMC11019184 , PMC3153256
CEDs01292Rice Bran OilFood, food processing & cookwarePMC8619327
CEDs01293BuckwheatFood, food processing & cookwarePMC11620267
CEDs01295Chicken MeatFood, food processing & cookwarePMC12192523 , PMC12192523
CEDs01298Food MatricesFood, food processing & cookwarePMC3847711 , PMC12942784
CEDs01299Food CategoriesFood, food processing & cookwarePMC11203094
CEDs01302WineFood, food processing & cookwarePMC3798874 , PMC3153256
CEDs01303Rice BranFood, food processing & cookwarePMC11769259
CEDs01305Black TeaFood, food processing & cookwarePMC10454378 , PMC10454378
CEDs01307Pork MeatFood, food processing & cookwarePMC8876995 , PMC8876995
CEDs01313JuiceFood, food processing & cookwarePMC5794868 , PMC5794868
CEDs01315Processed FoodFood, food processing & cookwarePMC8623125
CEDs01319Milk ProductsFood, food processing & cookwarePMC8623125
CEDs01321Seafood ProductsFood, food processing & cookwarePMC7472416
CEDs01324Infant FoodFood, food processing & cookwarePMC5408187
CEDs01329SpicesFood, food processing & cookwarePMC8876995 , PMC8876995
CEDs01334Cereal ProductsFood, food processing & cookwarePMC10537406 , PMC12293878
CEDs01338Raw MilkFood, food processing & cookwarePMC10610745
CEDs01339Grape JuiceFood, food processing & cookwarePMC9146908 , PMC12197389
CEDs01343Cereal-based FoodsFood, food processing & cookwarePMC11620267 , PMC6410041
CEDs01345Milk SamplesFood, food processing & cookwarePMC8292487
CEDs01346Milk PowderFood, food processing & cookwarePMC10610745
CEDs01347Meat SamplesFood, food processing & cookwarePMC12192523 , PMC7354427
CEDs01349Food of Animal OriginFood, food processing & cookwarePMC10671907
CEDs01366Peanut ButterFood, food processing & cookwarePMC5486318
CEDs01367Red WinesFood, food processing & cookwarePMC3153256 , PMC3847711
CEDs01371Infant FormulaeFood, food processing & cookwarePMC8623125
CEDs01392PorkFood, food processing & cookwarePMC8622594 , PMC5794868
CEDs01395SpiceFood, food processing & cookwarePMC8623125
CEDs01399Food CropsFood, food processing & cookwarePMC11598020 , PMC11620267
CEDs01406White WineFood, food processing & cookwarePMC3153288 , PMC3798870
CEDs01408Craft BeersFood, food processing & cookwarePMC9455588
CEDs01416Dried FruitsFood, food processing & cookwarePMC8622594 , PMC11620267
CEDs01420Dry-cured Meat ProductsFood, food processing & cookwarePMC10301060 , PMC10301060
CEDs01424Roasted CoffeeFood, food processing & cookwarePMC3847711 , PMC5486318
CEDs01425Food CommoditiesFood, food processing & cookwarePMC3153288 , PMC11620267
CEDs01430Breakfast CerealsFood, food processing & cookwarePMC11898784
CEDs01433Rice GrainFood, food processing & cookwarePMC9504649
CEDs01434Coffee SamplesFood, food processing & cookwarePMC3833131 , PMC10675009
CEDs01441Infant FormulasFood, food processing & cookwarePMC5408185
CEDs01444Liquid MilkFood, food processing & cookwarePMC10610745
CEDs01448Oolong TeaFood, food processing & cookwarePMC9318285
CEDs01457Pork Meat ProductsFood, food processing & cookwarePMC8876995 , PMC8876995
CEDs01458Pork ProductsFood, food processing & cookwarePMC8876995 , PMC8876995
CEDs01459CerealFood, food processing & cookwarePMC8876995 , PMC5862147
CEDs01460Cereal By-productsFood, food processing & cookwarePMC8876995 , PMC7150844
CEDs01461Raw MeatFood, food processing & cookwarePMC8876995
CEDs01464Cow MilkFood, food processing & cookwarePMC3153269
CEDs01466Raw Milk SamplesFood, food processing & cookwarePMC10054876
CEDs01467Baby FoodsFood, food processing & cookwarePMC8954951 , PMC8228748
CEDs01478Wheat BreadFood, food processing & cookwarePMC7828551
CEDs01482Dried FruitFood, food processing & cookwarePMC13211488 , PMC11015381
CEDs01483Processed Food ProductsFood, food processing & cookwarePMC6962185
CEDs01498Food SampleFood, food processing & cookwarePMC5684557
CEDs01520Animal FoodFood, food processing & cookwarePMC8622594
CEDs01521Processed Cereal-based FoodsFood, food processing & cookwarePMC8954951
CEDs01530Fermented BeveragesFood, food processing & cookwarePMC13297485
CEDs01538Durum WheatFood, food processing & cookwarePMC12475862 , PMC12475862
CEDs01541Unprocessed CerealsFood, food processing & cookwarePMC11769259 , PMC12567597
CEDs01545Cereal SamplesFood, food processing & cookwarePMC5862147 , PMC5862147
CEDs01549Wholemeal FlourFood, food processing & cookwarePMC12567793 , PMC12567793
CEDs01558Wheat GrainFood, food processing & cookwarePMC3344258 , PMC3344258
CEDs01566Instant CoffeeFood, food processing & cookwarePMC11620267 , PMC3873687
CEDs01569Infant FoodsFood, food processing & cookwarePMC12475862
CEDs01579Dairy FeedsFood, food processing & cookwarePMC6071188
CEDs01580Wheat SampleFood, food processing & cookwarePMC7215233
CEDs01594Baby FoodFood, food processing & cookwarePMC12823678
CEDs01604Bread DoughFood, food processing & cookwarePMC13211690
CEDs01609RTE foodsFood, food processing & cookwarePMC10048420
CEDs01623Coffee BeveragesFood, food processing & cookwarePMC11620267
CEDs01636Foods of Animal OriginFood, food processing & cookwarePMC5794868 , PMC5794868
CEDs01653Beef MeatFood, food processing & cookwarePMC7956122
CEDs01664Seafood SamplesFood, food processing & cookwarePMC7472416
CEDs01665Tea InfusionsFood, food processing & cookwarePMC10536045
CEDs01670Smoked MeatFood, food processing & cookwarePMC3847710 , PMC7354427
CEDs01677Fresh MeatFood, food processing & cookwarePMC11898784
CEDs01682Wheat CropsFood, food processing & cookwarePMC12031601
CEDs01685Dark ChocolateFood, food processing & cookwarePMC3118505
CEDs01688Dairy Feed SamplesFood, food processing & cookwarePMC6071188
CEDs01694Milk ChocolateFood, food processing & cookwarePMC11620267 , PMC12823678
CEDs01700Animal-derived Food ProductsFood, food processing & cookwarePMC3496991
CEDs01712Grape WineFood, food processing & cookwarePMC5794868 , PMC6962185
CEDs01717Cereal-based FoodFood, food processing & cookwarePMC3847710
CEDs01718Wheat ProductsFood, food processing & cookwarePMC11203094
CEDs01724Wine GrapesFood, food processing & cookwarePMC7828551
CEDs01734Red Wine SamplesFood, food processing & cookwarePMC4970161
CEDs01735Human FoodFood, food processing & cookwarePMC10467111
CEDs01779Dark TeaFood, food processing & cookwarePMC9318285 , PMC9318285
CEDs01785Mature MilkFood, food processing & cookwarePMC8623125
CEDs01879ResinIndustrial manufacturing & chemical processingPMC12858599
CEDs02255WaterAquatic systems & sedimentsPMC9146908 , PMC3153256
CEDs02268Water SamplesAquatic systems & sedimentsPMC11462967
CEDs02319Lake WaterAquatic systems & sedimentsPMC11462967
CEDs02348Aquatic ProductsAquatic systems & sedimentsPMC11898784
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansKnownNot Available
Ras-related protein Rab-11A structureClick to view 3D structureRas-related protein Rab-11AP62491HumansKnownNot Available
Albumin structureClick to view 3D structureAlbuminP02768HumansKnownNot Available
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansKnownNot Available
Click to view 3D structureCytochrome P450 1A1P00185RatKnownNot Available
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansKnownNot Available
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansKnownNot Available
Caspase-9 structureClick to view 3D structureCaspase-9P55211HumansKnownNot Available
Click to view 3D structureSolute carrier family 22 member 6Q8VC69Mus musculusPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.683
Statistical Significance
1.00e-05
Supporting Reference Compounds
7
E-value
0.0778492
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.289 Low confidence
Statistical Significance
0.0869
Supporting Reference Compounds
528
E-value
676.899
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.289 Low confidence
Statistical Significance
0.1028
Supporting Reference Compounds
524
E-value
800.134
Platelet-derived growth factor receptor alpha structureClick to view 3D structurePlatelet-derived growth factor receptor alphaP16234HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.278 Low confidence
Statistical Significance
0.1745
Supporting Reference Compounds
519
E-value
1358.47
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.278 Low confidence
Statistical Significance
0.3018
Supporting Reference Compounds
1274
E-value
2349.18
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.288 Low confidence
Statistical Significance
0.1167
Supporting Reference Compounds
406
E-value
908.89
Click to view 3D structure5-hydroxytryptamine receptor 4O70528Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0289
Supporting Reference Compounds
94
E-value
224.829
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.289 Low confidence
Statistical Significance
0.1837
Supporting Reference Compounds
861
E-value
1430.4
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.289 Low confidence
Statistical Significance
0.2205
Supporting Reference Compounds
1103
E-value
1716.58
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.278 Low confidence
Statistical Significance
0.3443
Supporting Reference Compounds
1660
E-value
2680.35
Vascular endothelial growth factor receptor 3 structureClick to view 3D structureVascular endothelial growth factor receptor 3P35916HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.278 Low confidence
Statistical Significance
0.2214
Supporting Reference Compounds
687
E-value
1723.27
Click to view 3D structureMast cell carboxypeptidase AP15088HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.262 Low confidence
Statistical Significance
0.0062
Supporting Reference Compounds
2
E-value
48.3444
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.265 Low confidence
Statistical Significance
0.2897
Supporting Reference Compounds
905
E-value
2255.6
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.263 Low confidence
Statistical Significance
0.3582
Supporting Reference Compounds
1130
E-value
2788.56
ALK tyrosine kinase receptor structureClick to view 3D structureALK tyrosine kinase receptorQ9UM73HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.263 Low confidence
Statistical Significance
0.269
Supporting Reference Compounds
708
E-value
2093.99
Proto-oncogene tyrosine-protein kinase receptor Ret structureClick to view 3D structureProto-oncogene tyrosine-protein kinase receptor RetP07949HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.263 Low confidence
Statistical Significance
0.2816
Supporting Reference Compounds
764
E-value
2192.16
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.256 Low confidence
Statistical Significance
0.2775
Supporting Reference Compounds
763
E-value
2160.47
Click to view 3D structureD(3) dopamine receptorP19020Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.289 Low confidence
Statistical Significance
0.0766
Supporting Reference Compounds
145
E-value
596.559
Click to view 3D structure5-hydroxytryptamine receptor 4Q62758Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0244
Supporting Reference Compounds
55
E-value
190.264
Neprilysin structureClick to view 3D structureNeprilysinQ61391Mus musculusPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.254 Low confidence
Statistical Significance
0.02
Supporting Reference Compounds
3
E-value
155.387
Beta sliding clamp structureClick to view 3D structureBeta sliding clampP0A988Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0042
Supporting Reference Compounds
1
E-value
32.4631
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.263 Low confidence
Statistical Significance
0.4327
Supporting Reference Compounds
1157
E-value
3368.46
Dual specificity mitogen-activated protein kinase kinase 2 structureClick to view 3D structureDual specificity mitogen-activated protein kinase kinase 2P36507HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.263 Low confidence
Statistical Significance
0.181
Supporting Reference Compounds
279
E-value
1409.38
Click to view 3D structureHistone deacetylase 6Q99P97Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.247 Low confidence
Statistical Significance
0.024
Supporting Reference Compounds
1
E-value
187.072
Cytosol aminopeptidase structureClick to view 3D structureCytosol aminopeptidaseP00727Bos taurusPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.247 Low confidence
Statistical Significance
0.0211
Supporting Reference Compounds
1
E-value
164.028
Click to view 3D structureCytosol aminopeptidaseP28838HumansKnownNot Available
Cytosolic non-specific dipeptidase structureClick to view 3D structureCytosolic non-specific dipeptidaseQ96KP4HumansKnownNot Available
Aminoacylase-1 structureClick to view 3D structureAminoacylase-1Q03154HumansKnownNot Available
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansKnownNot Available
Cytochrome P450 2E1 structureClick to view 3D structureCytochrome P450 2E1P05181HumansKnownNot Available
Carboxypeptidase B structureClick to view 3D structureCarboxypeptidase BP15086HumansKnownNot Available
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansKnownNot Available
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansKnownSome cytochrome P-450 enzymes, such as CYP2C9, are known to metabolize ochratoxin A into more cytotoxic compounds capable of forming DNA adducts. (A3099)
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] structureClick to view 3D structurePhosphoenolpyruvate carboxykinase, cytosolic [GTP]P35558HumansKnownOchratoxin A is an inhibitor of renal phosphoenolpyruvate carboxykinase. (A2875)
Succinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrial structureClick to view 3D structureSuccinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrialO14521HumansKnownOchratoxin A is an uncompetitive inhibitor of succinate dehydrogenase. (A2874)
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial structureClick to view 3D structureSuccinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrialP21912HumansKnownOchratoxin A is an uncompetitive inhibitor of succinate dehydrogenase. (A2874)
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0256434
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDC00003008
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkOchratoxin A
Chemspider ID4419
ChEBI IDNot Available
PubChem Compound ID4580
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSLink
General References
  1. Grond S, Sablotzki A: Clinical pharmacology of tramadol. Clin Pharmacokinet. 2004;43(13):879-923. [PubMed: 15509185]
  2. Rothenberg SP, Marcoullis GP, Schwarz S, Lader E: Measurement of cyanocobalamin in serum by a specific radioimmunoassay. J Lab Clin Med. 1984 Jun;103(6):959-72. [PubMed: 6726060]
  3. Begley JA, Colligan PD, Chu RC: Transcobalamin II mediated delivery of albumin-bound hydroxocobalamin to human liver cells. Proc Soc Exp Biol Med. 1993 Nov;204(2):206-10. [PubMed: 8415778]
  4. Gekle M, Silbernagl S: Mechanism of ochratoxin A-induced reduction of glomerular filtration rate in rats. J Pharmacol Exp Ther. 1993 Oct;267(1):316-21. [PubMed: 8229758]
  5. Galtier P: Pharmacokinetics of ochratoxin A in animals. IARC Sci Publ. 1991;(115):187-200. [PubMed: 1820333]
  6. Hietanen E, Bartsch H, Bereziat JC, Castegnaro M, Michelon J: Characterization of the cytochrome P450 isozyme that metabolizes ochratoxin A, using metabolic inducers, inhibitors and antibodies. IARC Sci Publ. 1991;(115):297-304. [PubMed: 1820345]
  7. Simarro Doorten AY, Bull S, van der Doelen MA, Fink-Gremmels J: Metabolism-mediated cytotoxicity of ochratoxin A. Toxicol In Vitro. 2004 Jun;18(3):271-7. [PubMed: 15046773]
  8. Peraica M, Domijan AM: Contamination of food with mycotoxins and human health. Arh Hig Rada Toksikol. 2001 Mar;52(1):23-35. [PubMed: 11370295]
  9. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. - http://monographs.iarc.fr/index.php
  10. Wikipedia. Ochratoxin A. Last Updated 26 February 2010. - http://en.wikipedia.org/wiki/Ochratoxin_A
  11. IARC (1983). Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Man. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-Present. (Multivolume work).
  12. Rumack BH POISINDEX(R) Information System Micromedex, Inc., Englewood, CO, 2010; CCIS Volume 143, edition expires Feb, 2010. Hall AH & Rumack BH (Eds): TOMES(R) Information System Micromedex, Inc., Englewood, CO, 2010; CCIS Volume 143, edition expires Feb, 2010.
  13. O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1209
  14. Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 779
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