Rosiglitazone (CED0001762)

Record Information
Version1.0
Creation Date2016-05-20 16:18:51 UTC
Update Date2026-08-20 00:09:33 UTC
SynCED IDCED0001762
Secondary Accession Numbers
  • CHEM016199
Identification
Common NameRosiglitazone
ClassSmall Molecule
Description
Rosiglitazone (C18H19N3O3S) is an organic compound with an average molecular weight of 357.43 g/mol. Rosiglitazone belongs to the phenol ethers, a class of benzenoids within the organic compounds. It functions biologically as a drug (PMC12108409 ), a ligand (PMC6506953 ), and an agonist (PMC11742652 , PMC13407025 ). The compound's protein targets include the Retinoic acid receptor RXR-alpha (RXRA), Long-chain-fatty-acid--CoA ligase 4 (ACSL4), and the Peroxisome proliferator-activated receptor gamma (PPARG), for which it acts as an agonist or inhibitor. The substance is identified in 13 recorded sources, including healthcare, pharmaceuticals, and veterinary products specifically as blood glucose lowering drugs, excluding insulins. Other sources include food, food processing and cookware, such as the processing of meats and the preparation of malt, vinegar, wine, or sparkling wine; household cleaning and consumer products, including pipe accessories, other smoking requisites, and non electric simulated smoking devices; and electrical and electronic equipment, such as television systems, radio transmission systems, relays, amplifiers, and video games. The recorded exposure route for this compound is oral. Regarding health effects, rosiglitazone is used as a treatment for gestational diabetes (PMC5384842 ) and has a therapeutic effect on hepatic steatosis (PMC9777112 ). However, it is associated with heart failure and cholestasis (PMC8834714 ).
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
5-((4-(2-(Methyl-2-pyridinylamino)ethoxy)phenyl)methyl)-2,4-thiazolidinedioneChEBI
BRL-49653ChEBI
RosiglitazonaChEBI
RosiglitazonumChEBI
GaudilKegg
AvandiaHMDB
Rosiglitazone maleateHMDB
RosiglizoleHMDB
5-((4-(2-Methyl-2-(pyridinylamino)ethoxy)phenyl)methyl)-2,4-thiazolidinedione-2-butenedioateHMDB
GlaxoSmithKline brand OF rosiglitazone maleateHMDB
SmithKline beecham brand OF rosiglitazone maleateHMDB
Glaxo wellcome brand OF rosiglitazone maleateHMDB
Chemical FormulaC18H19N3O3S
Average Molecular Mass357.427 g/mol
Monoisotopic Mass357.115 g/mol
CAS Registry Number122320-73-4
IUPAC Name5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
Traditional Namerosiglitazone
SMILESCN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1
InChI IdentifierInChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
InChI KeyYASAKCUCGLMORW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenol ethers
Sub ClassNot Available
Direct ParentPhenol ethers
Alternative Parents
Substituents
  • Phenoxy compound
  • Phenol ether
  • Dialkylarylamine
  • Alkyl aryl ether
  • Aminopyridine
  • Monocyclic benzene moiety
  • Pyridine
  • Imidolactam
  • Heteroaromatic compound
  • Meta-thiazoline
  • Carbonic acid derivative
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Azacycle
  • Ether
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic Effects
  • darkening colour ?
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.038 g/LALOGPS
logP2.95ALOGPS
logP2.45ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)6.84ChemAxon
pKa (Strongest Basic)6.23ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area71.53 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity97.79 m³·mol⁻¹ChemAxon
Polarizability37.8 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-05fr-6931000000-a3ad698c8739c8f57e74Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0109000000-d527d5c2b5f1de352264Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0109000000-d527d5c2b5f1de352264Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4r-1609000000-585d240b82e4a1918a29Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0309000000-a9fa2307075b611cffccNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-1009000000-991ab6592f05f0e9b3b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052r-0906000000-d2389ebced7cec4a890eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0119000000-afcd19b8a0a922a55f1aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052r-0941000000-369864aa78ee259dca92Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-1910000000-f9a7e77fcdf7ededf79cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0439000000-ab505f9372d95dd2a762Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0k9l-4792000000-bfe60ce181bc6c7314cbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9500000000-9699ab9cf1188cacce3fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-1159000000-cd81e0c7b3e3f0631336Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9242000000-b5f05b953b17b8f5dc01Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9100000000-1495c41f9621c21b07f3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0902000000-914f8b56c690e9af074dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052r-0579000000-0ae28d63488de9c942eeNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05g0-0910000000-de9d0cd74d041cf2fe82Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
995.0 Log mg/kg [560:1800]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
inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC2813335 , PMC4007599
inflammationAssociated With?Not AvailableNot AvailablePMC3539512
breast cancerHas Therapeutic Effect OnNot AvailableA breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)PMC2268944
type 2 diabetes mellitusNot AvailableNot AvailableNot AvailablePMC4662182 , PMC4737589
type 2 diabetes mellitusHas Therapeutic Effect OnNot AvailableNot AvailablePMC1492602 , PMC4983391
gestational diabetesNot AvailableNot AvailableA disorder, occurring in pregnant women, characterized by hyperglycemia.PMC5384842
asthmaHas Therapeutic Effect OnNot AvailableA bronchial disease that is characterized by chronic inflammation and narrowing of the airways, which is caused by a combination of environmental and genetic factors. The disease has symptom recurring periods of wheezing (a whistling sound while breathing), has symptom chest tightness, has symptom shortness of breath, has symptom mucus production and has symptom coughing. The symptoms appear due to a variety of triggers such as allergens, irritants, respiratory infections, weather changes, exercise, stress, reflux disease, medications, foods and emotional anxiety. (DO)PMC8545719
asthmaNot AvailableNot AvailableA bronchial disease that is characterized by chronic inflammation and narrowing of the airways, which is caused by a combination of environmental and genetic factors. The disease has symptom recurring periods of wheezing (a whistling sound while breathing), has symptom chest tightness, has symptom shortness of breath, has symptom mucus production and has symptom coughing. The symptoms appear due to a variety of triggers such as allergens, irritants, respiratory infections, weather changes, exercise, stress, reflux disease, medications, foods and emotional anxiety. (DO)PMC9653757
diabetes mellitusNot AvailableNot AvailableA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC10346988 , PMC8154580
diabetes mellitusHas Therapeutic Effect OnNot 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)PMC3957140
strokeAssociated With?increaseNot AvailablePMC3516063
neuropathic painHas Therapeutic Effect OnNot AvailableNot AvailablePMC2813335 , PMC2813335
weight gainAssociated With?Not AvailableA finding characterized by an increase in overall body weight; for pediatrics, greater than the baseline growth curve. (NCI CTCAE)PMC4314249
liver cancerAssociated With?decreaseLiver 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)PMC4919666
colon cancerHas Therapeutic Effect OnNot AvailableNot AvailablePMC2268944
atherosclerosisHas Therapeutic Effect OnNot AvailableA disorder involving build-up of fatty material and calcium deposition in the arterial wall. It results in partial or complete occlusion of the arterial lumen.PMC3957140
glioblastomaHas Therapeutic Effect OnNot AvailableA type of brain tumor characterized by its aggressiveness and believed to originate from astrocytes.PMC2268944
heart failureAssociated With?Not AvailableA disorder characterized by the inability of the heart to pump blood at an adequate volume to meet tissue metabolic requirements, or, the ability to do so only at an elevation in the filling pressure. (NCI CTCAE)PMC8834714
heart failureAssociated With?increaseA disorder characterized by the inability of the heart to pump blood at an adequate volume to meet tissue metabolic requirements, or, the ability to do so only at an elevation in the filling pressure. (NCI CTCAE)PMC3516063 , PMC9653757
myocardial infarctionAssociated With?increaseA disorder characterized by gross necrosis of the myocardium; this is due to an interruption of blood supply to the area. (NCI CTCAE)PMC9653757
edemaHas Therapeutic Effect OnNot AvailableA disorder characterized by swelling due to an excessive accumulation of fluid (NCI CTCAE)PMC2813335 , PMC2813335
ischemiaHas Therapeutic Effect OnNot AvailableA disorder characterized by a decrease or absence of blood supply to an organ or tissue, caused by obstruction (thrombosis or embolism) of an artery. (NCI CTCAE)PMC12695680
coronary artery diseaseNot AvailableNot AvailableAn artery disease that is characterized by plaque building up along the inner walls of the arteries of the heart resulting in a narrowing of the arteries and a reduced blood supply to the cardiac muscles. (DO)PMC10379356
cholestasisAssociated With?Not AvailableImpairment of the bile flow caused by obstruction within the liver, or outside the liver in the bile duct system.PMC8834714
acute myocardial infarctionAssociated With?increaseNot AvailablePMC3516063
hepatic steatosisHas Therapeutic Effect OnNot AvailableNot AvailablePMC9777112 , PMC4120751
allergic diseaseHas Therapeutic Effect OnNot AvailableAllergic diseases, also known as allergies, are a number of conditions caused by hypersensitivity of the immune system to typically harmless substances in the environment. These diseases include hay fever, food allergies, atopic dermatitis, allergic asthma, and anaphylaxis. Symptoms may include red eyes, an itchy rash, sneezing, a runny nose, shortness of breath, or swelling. Common allergens include pollen and certain foods. Metals and other substances may also cause allergies. Food, insect stings, and medications are common causes of severe allergic reactions. Allergies can be due to both genetic and environmental factors. The underlying mechanism involves immunoglobulin E antibodies (IgE) binding to an allergen and then to a receptor on mast cells or basophils where it triggers the release of inflammatory chemicals such as histamine. Allergies are among the most common conditions in the world. In the developed world, about 20% of people are affected by allergic rhinitis, about 6% of people have at least one food allergy, and about 20% have atopic dermatitis at some point in time.PMC8545719
brain ischemiaHas Therapeutic Effect OnNot AvailableA disorder characterized by a decrease or absence of blood supply to the brain caused by obstruction (thrombosis or embolism) of an artery resulting in neurological damage. (NCI CTCAE)PMC12486939
ulcerative colitisHas Therapeutic Effect OnNot AvailableA health condition characterized by inflammation of the colon. A type of IBD.PMC3539512
colitisHas Therapeutic Effect OnNot AvailableA disorder characterized by inflammation of the colon. (NCI CTCAE)PMC13281922
stomach cancerHas Therapeutic Effect OnNot AvailableA gastrointestinal system cancer that is located in the stomach. (DO)PMC9368267
hepatic fibrosisNot AvailableNot AvailableNot AvailablePMC4919666
glucose intoleranceHas Therapeutic Effect OnNot AvailableA disorder characterized by an inability to properly metabolize glucose. (NCI CTCAE)PMC4983391
pulmonary emphysemaHas Therapeutic Effect OnNot AvailableNot AvailablePMC4007599
steatotic liver diseaseHas Therapeutic Effect OnNot AvailableNot AvailablePMC9777112
cardiovascular disorderHas Therapeutic Effect OnNot AvailableNot AvailablePMC3957140
FibrosisHas Therapeutic Effect OnNot AvailableNot AvailablePMC4120751
Lung InjuryHas Therapeutic Effect OnNot AvailableNot AvailablePMC12910160
central nervous system disorderHas Therapeutic Effect OnNot AvailableNot AvailablePMC12486939
Premature birthHas Therapeutic Effect OnNot AvailableNot AvailablePMC8232579
bone fractureAssociated With?increaseNot AvailablePMC9432570 , PMC4919125
Peripheral edemaAssociated With?Not AvailableNot AvailablePMC8834714
Reperfusion InjuryHas Therapeutic Effect OnNot AvailableNot AvailablePMC12695680
CardiotoxicityAssociated With?Not AvailableNot AvailablePMC3078935
fatty liver diseaseAssociated With?Not AvailableNot AvailablePMC8834714
fatty liver diseaseAssociated With?increaseNot AvailablePMC8716683
VasospasmHas Therapeutic Effect OnNot AvailableNot AvailablePMC4848452
Intestinal inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC13281922
Glucose Metabolism DisordersHas Therapeutic Effect OnNot AvailableNot AvailablePMC8232579
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
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC3548286 , PMC3548286
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
CEDs000263Blood glucose lowering drugs, excl. insulins?Blood glucose lowering drugs, excluding insulins, encompass a range of synthetic chemicals designed to manage hyperglycemia in individuals with diabetes.Healthcare, pharmaceuticals & veterinary productsNot 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
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
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
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
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
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
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
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
CEDs000562Pipe Accessories?Pipe accessories, such as fittings, connectors, and seals, are components used in plumbing systems to facilitate the flow of liquids and gases.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
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
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000601Lawn Mowers?Lawn mowers, particularly those powered by gasoline, can be a source of synthetic chemical contamination due to the combustion of fossil fuels and the use of engine oils.Agriculture & land managementPubChem
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000621Chutes And Slides?Chutes and slides, commonly found in playgrounds and recreational areas, are often constructed from synthetic materials such as plastics and rubber.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
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
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
CEDs000661Umbrellas?Umbrellas are commonly manufactured using synthetic materials such as polyester, nylon, and polyvinyl chloride (PVC), which can contribute to synthetic chemical contamination.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
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
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
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
CEDs000732Spectacle Cases?Spectacle cases can serve as a source of synthetic chemical contamination due to the materials used in their production, such as polycarbonate, PVC, and various plastics, which may leach harmful substances over time.Healthcare, pharmaceuticals & veterinary 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
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Catalase structureClick to view 3D structureCatalaseP04040HumansKnownNot Available
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansKnownNot Available
Alkaline phosphatase structureClick to view 3D structureAlkaline phosphataseP00634Escherichia coli (strain K12)KnownNot Available
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.711
Applicability Domain
1.0
Statistical Significance
5.00e-05
Supporting Reference Compounds
192
E-value
0.389246
Click to view 3D structurePeroxisome proliferator-activated receptor gammaP37238Mus musculusPredicted (SEA)
Prediction Confidence Score
0.628
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
38
E-value
0.233548
Click to view 3D structureCDGSH iron-sulfur domain-containing protein 1B0K020Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.588
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
3
E-value
0.0778492
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.542
Applicability Domain
1.0
Statistical Significance
9.00e-04
Supporting Reference Compounds
315
E-value
7.00643
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.532
Applicability Domain
1.0
Statistical Significance
9.40e-04
Supporting Reference Compounds
472
E-value
7.31783
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)
Prediction Confidence Score
0.5
Applicability Domain
1.0
Statistical Significance
2.80e-04
Supporting Reference Compounds
104
E-value
2.17978
Mitochondrial pyruvate carrier 2 structureClick to view 3D structureMitochondrial pyruvate carrier 2O95563HumansPredicted (SEA)
Prediction Confidence Score
0.484
Applicability Domain
0.484
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Click to view 3D structureThromboxane-A synthaseP24557HumansPredicted (SEA)
Prediction Confidence Score
0.469
Applicability Domain
1.0
Statistical Significance
9.00e-05
Supporting Reference Compounds
66
E-value
0.700643
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.455
Applicability Domain
1.0
Statistical Significance
6.30e-04
Supporting Reference Compounds
77
E-value
4.9045
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.45
Applicability Domain
1.0
Statistical Significance
0.0015
Supporting Reference Compounds
127
E-value
11.8331
Click to view 3D structurePeroxisome proliferator-activated receptor alphaP23204Mus musculusPredicted (SEA)
Prediction Confidence Score
0.433
Applicability Domain
1.0
Statistical Significance
1.80e-04
Supporting Reference Compounds
38
E-value
1.40129
Carnitine O-palmitoyltransferase 1, liver isoform structureClick to view 3D structureCarnitine O-palmitoyltransferase 1, liver isoformP50416HumansPredicted (SEA)
Prediction Confidence Score
0.43
Applicability Domain
1.0
Statistical Significance
3.80e-04
Supporting Reference Compounds
21
E-value
2.95827
CDGSH iron-sulfur domain-containing protein 1 structureClick to view 3D structureCDGSH iron-sulfur domain-containing protein 1Q9NZ45HumansPredicted (SEA)
Prediction Confidence Score
0.422
Applicability Domain
1.0
Statistical Significance
1.10e-04
Supporting Reference Compounds
22
E-value
0.856341
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.387
Applicability Domain
0.5
Statistical Significance
0.0087
Supporting Reference Compounds
391
E-value
67.7288
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.381
Applicability Domain
1.0
Statistical Significance
0.0025
Supporting Reference Compounds
89
E-value
19.618
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.5
Statistical Significance
0.0066
Supporting Reference Compounds
340
E-value
51.7697
CDGSH iron-sulfur domain-containing protein 2 structureClick to view 3D structureCDGSH iron-sulfur domain-containing protein 2Q8N5K1HumansPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
5
E-value
0.0778492
Click to view 3D structureType-1 angiotensin II receptor AP25095Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
1.0
Statistical Significance
0.0055
Supporting Reference Compounds
24
E-value
43.0506
Substance-K receptor structureClick to view 3D structureSubstance-K receptorP21452HumansPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.5
Statistical Significance
0.0099
Supporting Reference Compounds
118
E-value
77.3043
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.5
Statistical Significance
0.0217
Supporting Reference Compounds
593
E-value
168.777
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.5
Statistical Significance
0.0148
Supporting Reference Compounds
487
E-value
115.373
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.5
Statistical Significance
0.0374
Supporting Reference Compounds
427
E-value
291.467
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.405
Statistical Significance
0.0286
Supporting Reference Compounds
686
E-value
222.415
Retinoic acid receptor gamma structureClick to view 3D structureRetinoic acid receptor gammaP13631HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.873
Statistical Significance
0.002
Supporting Reference Compounds
52
E-value
15.6477
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.5
Statistical Significance
0.0141
Supporting Reference Compounds
373
E-value
109.69
Cytochrome P450 2C8 structureClick to view 3D structureCytochrome P450 2C8P10632HumansKnownNot Available
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansKnownNot Available
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDDB00412
HMDB IDHMDB0005031
FooDB IDFDB023598
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkRosiglitazone
Chemspider ID70383
ChEBI ID50122
PubChem Compound ID77999
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available