Procyanidin (CED0002460)

Record Information
Version1.0
Creation Date2016-05-25 22:55:43 UTC
Update Date2026-03-26 19:48:53 UTC
SynCED IDCED0002460
Secondary Accession Numbers
  • CHEM026331
Identification
Common NameProcyanidin
ClassSmall Molecule
Description
Procyanidin (C30H26O13) is a compound that serves as a biological antioxidant (PMC11722739 , PMC7533007 ). Procyanidin belongs to the flavans, a subclass of flavonoids within the organic compounds. With an average molecular weight of 594.52 g/mol, Procyanidin is a heavy molecule. This compound is found in five recorded sources related to food, food processing, and cookware, specifically in the preparation of malt, vinegar, wort, and wine or sparkling wine, as well as in the treatment of hops. The compound is associated with blood pressure (PMC4446743 ), cancer (PMC3365481 ), and chronic inflammation (PMC6270369 ). It is used as a treatment for inflammation (PMC11123784 ). Furthermore, Procyanidin has therapeutic effects on obesity (PMC10458638 ), atherosclerosis (PMC9566368 ), lung cancer (PMC5000748 ), and blood pressure (PMC4446743 ). Additional therapeutic effects are noted for insomnia, cancer, inflammation, and diabetic retinopathy (PMC11123784 ).
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
Procyanidin, (2R-(2alpha,3alpha,4alpha(2'r*,3's*)))-isomerMeSH
Procyanidin, (2R-(2alpha,3beta,4beta(2R*,3R*)))-isomerMeSH
ProcyanidineMeSH
Procyanidin type aMeSH
Type a procyanidinMeSH
a-Type procyanidinMeSH
Epicatechin-4alpha,8-epicatechinMeSH
Chemical FormulaC30H26O13
Average Molecular Mass594.525 g/mol
Monoisotopic Mass594.137 g/mol
CAS Registry Number4852-22-6
IUPAC Name2-(3,4-dihydroxyphenyl)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol
Traditional Name2-(3,4-dihydroxyphenyl)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4-dihydro-1-benzopyran-3,4,5,7-tetrol
SMILESOC1C(O)C(OC2CC3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)(OC2=CC(O)=CC(O)=C12)C1=CC=C(O)C(O)=C1
InChI IdentifierInChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2
InChI KeyHGVVOUNEGQIPMS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavans
Direct ParentCatechins
Alternative Parents
Substituents
  • Catechin
  • Hydroxyflavonoid
  • 7-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 4-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • 1-benzopyran
  • Benzopyran
  • Chromane
  • Benzylether
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • Alkyl aryl ether
  • Ketal
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Monocyclic benzene moiety
  • Secondary alcohol
  • 1,2-diol
  • Polyol
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic Effects
  • bitter taste ?
  • brown colour ?
  • astringent taste ?
  • bright pink colour ?
  • astringent touch ?
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.19 g/LALOGPS
logP2.27ALOGPS
logP3.64ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)8.64ChemAxon
pKa (Strongest Basic)-4.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count10ChemAxon
Polar Surface Area229.99 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity147.16 m³·mol⁻¹ChemAxon
Polarizability57.25 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0920040000-c07bb71808a61065f068Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0079-0920010000-17bd24728bbdffe1632cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0079-1900000000-8ab82ba428b11d1aa9cbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000f-0902150000-465c6cb31c9b84ec5e32Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0819130000-a39f3d60a8de6d386c83Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a70-1900000000-bc44a7753a7cbc8d61cfNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
6461.0 Log mg/kg [3600:11000]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
lung cancerHas Therapeutic Effect OnNot AvailableA respiratory system cancer that is located in the lung. (DO)PMC5000748
hypertensionAssociated With?Not AvailableA disorder characterized by a pathological increase in blood pressure; a repeatedly elevation in the blood pressure exceeding 140 over 90 mm Hg. (NCI CTCAE)PMC10667584
blood pressureHas Therapeutic Effect OnNot AvailableNot AvailablePMC4446743
blood pressureAssociated With?Not AvailableNot AvailablePMC4446743
inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC11123784
inflammationNot AvailableNot AvailableNot AvailablePMC11123784
inflammationAssociated With?Not AvailableNot AvailablePMC10672227
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.PMC3365481
cancerHas Therapeutic Effect OnNot 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.PMC11123784
insomniaHas Therapeutic Effect OnNot AvailableA disorder characterized by difficulty in falling asleep and/or remaining asleep. (NCI CTCAE)PMC11123784
colorectal cancerAssociated With?Not AvailableA large intestine cancer that is located in the colon and/or located in the rectum. (DO)PMC9738610
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)PMC11847907
obesityHas Therapeutic Effect OnNot AvailableA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC10458638 , PMC8295316
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.PMC9566368
hypokalemiaAssociated With?Not AvailableNot AvailablePMC8247899
diabetic retinopathyHas Therapeutic Effect OnNot AvailableNot AvailablePMC11123784
chronic inflammationAssociated With?Not AvailableChronic inflammation is a slow, long-term inflammation lasting for prolonged periods of several months to years. Chronic inflammation can damage healthy cells, tissues, and organs. The main causes of the chronic inflammation includes the untreated causes of acute inflammation, such as an infection or injury, an autoimmune disorder and a long-term exposure to irritants, such as industrial chemicals or polluted air.PMC6270369
hyperglycemiaHas Therapeutic Effect OnNot AvailableA disorder characterized by laboratory test results that indicate an elevation in the concentration of blood sugar. It is usually an indication of diabetes mellitus or glucose intolerance. (NCI CTCAE)PMC13209716
inflammatory bowel diseaseHas Therapeutic Effect OnNot AvailableAn intestinal disease characterized by inflammation located in all parts of digestive tract. (DO)PMC8295316
neurodegenerative diseaseAssociated With?Not AvailableA central nervous system disease that results in the progressive deterioration of function or structure of neurons. (DO)PMC9609092
neurodegenerative diseaseNot AvailableNot AvailableA central nervous system disease that results in the progressive deterioration of function or structure of neurons. (DO)PMC9483447
triple-negative breast cancerHas Therapeutic Effect OnNot AvailableNot AvailablePMC11123784
gastric ulcerHas Therapeutic Effect OnNot AvailableA disorder characterized by a circumscribed, inflammatory and necrotic erosive lesion on the mucosal surface of the stomach lining.PMC9566368 , PMC4670692
type 1 diabetes mellitusNot AvailableNot AvailableNot AvailablePMC11847907
abdominal obesity-metabolic syndromeHas Therapeutic Effect OnNot AvailableNot AvailablePMC10458638 , PMC5243131
Abnormality of mitochondrial metabolismHas Therapeutic Effect OnNot AvailableNot AvailablePMC13209716
Oxidative StressHas Therapeutic Effect OnNot AvailableNot AvailablePMC10458638 , PMC12042781
Oxidative StressAssociated With?Not AvailableNot AvailablePMC10672227
cardiovascular disorderHas Therapeutic Effect OnNot AvailableNot AvailablePMC11184148 , PMC9152354
AgingHas Therapeutic Effect OnNot AvailableNot AvailablePMC11123784 , PMC13204907
NeurodegenerationHas Therapeutic Effect OnNot AvailableNot AvailablePMC11184148
Vascular HealthAssociated With?Not AvailableNot AvailablePMC4446743
aortic atherosclerosisHas Therapeutic Effect OnNot AvailableNot AvailablePMC11314045
Neuroinflammatory DiseasesHas Therapeutic Effect OnNot AvailableNot AvailablePMC9483447
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
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentPubChem
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
CEDs000553Treatment Of Hops?Hops, a key ingredient in brewing and food flavoring, can be a source of synthetic chemical contamination due to various agricultural practices.Food, food processing & cookwarePubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
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
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
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
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
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
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
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
CEDs000689Glass Fibres?Glass fibres are composed of fine strands of glass, commonly utilized for their tensile strength and lightweight properties.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
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
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01090Pharmaceutical ProductsHealthcare, pharmaceuticals & veterinary productsPMC9483447
CEDs01143DietFood, food processing & cookwarePMC11123784 , PMC4707737
CEDs01144FoodFood, food processing & cookwarePMC9753461
CEDs01145BeveragesFood, food processing & cookwarePMC5081531
CEDs01147BeerFood, food processing & cookwarePMC2962899 , PMC6515478
CEDs01151FruitsFood, food processing & cookwarePMC5884402 , PMC5000748
CEDs01155Red WineFood, food processing & cookwarePMC4446743 , PMC6099584
CEDs01157FoodsFood, food processing & cookwarePMC10812704 , PMC4446743
CEDs01160CerealsFood, food processing & cookwarePMC9319219
CEDs01161Cereal GrainsFood, food processing & cookwarePMC5081531
CEDs01168Food ProductsFood, food processing & cookwarePMC4446743 , PMC4446743
CEDs01171MeatFood, food processing & cookwarePMC12056911
CEDs01185Apple JuiceFood, food processing & cookwarePMC10667584
CEDs01189ChocolateFood, food processing & cookwarePMC6254055 , PMC7463549
CEDs01200VegetablesFood, food processing & cookwarePMC5884402 , PMC5000748
CEDs01203Fruit ExtractsFood, food processing & cookwarePMC11184148
CEDs01208FruitFood, food processing & cookwarePMC11123784 , PMC11123784
CEDs01210Food SupplementsFood, food processing & cookwarePMC9753461
CEDs01223Green TeaFood, food processing & cookwarePMC8998295 , PMC10424050
CEDs01224Brown RiceFood, food processing & cookwarePMC13304588
CEDs01241FoodstuffFood, food processing & cookwarePMC9483447
CEDs01253Dietary SupplementsFood, food processing & cookwarePMC6271979
CEDs01264VinegarFood, food processing & cookwarePMC9957543
CEDs01302WineFood, food processing & cookwarePMC5081531 , PMC6253895
CEDs01305Black TeaFood, food processing & cookwarePMC11311794
CEDs01313JuiceFood, food processing & cookwarePMC6270369 , PMC6337168
CEDs01328Tea LeavesFood, food processing & cookwarePMC9959171 , PMC9242975
CEDs01367Red WinesFood, food processing & cookwarePMC9569636
CEDs01383Black RiceFood, food processing & cookwarePMC13304588
CEDs01448Oolong TeaFood, food processing & cookwarePMC6274112
CEDs01618ChocolatesFood, food processing & cookwarePMC6245372
CEDs01645Colored RiceFood, food processing & cookwarePMC13304588 , PMC13304588
CEDs01646Red RiceFood, food processing & cookwarePMC13304588 , PMC9336675
CEDs01650Whole FruitFood, food processing & cookwarePMC6270369
CEDs01740Green Tea LeavesFood, food processing & cookwarePMC5392979
CEDs01750Cranberry fruitFood, food processing & cookwarePMC6337168 , PMC6835484
CEDs01801Food PackagingPackagingPMC11579371
CEDs02227Raw WaterDrinking water & water supplyPMC4690931
CEDs02257WatersAquatic systems & sedimentsPMC10907174
CEDs02264SedimentAquatic systems & sedimentsPMC6727589
CEDs02583Water StreamAquatic systems & sedimentsPMC9718749
CEDs02739GlueBuilding & ConstructionPMC6431978
CEDs02956CoalEnergy, oil & gasPMC12029300
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansKnownNot Available
Cytochrome P450 2E1 structureClick to view 3D structureCytochrome P450 2E1P05181HumansKnownNot Available
Alkaline phosphatase structureClick to view 3D structureAlkaline phosphataseP00634Escherichia coli (strain K12)KnownNot Available
Click to view 3D structureElastinP15502HumansKnownNot Available
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansKnownNot Available
Beta-secretase 1 structureClick to view 3D structureBeta-secretase 1P56817HumansPredicted (SEA)
Prediction Confidence Score
0.475
Applicability Domain
0.534
Statistical Significance
0.0019
Supporting Reference Compounds
163
E-value
15.1027
Click to view 3D structureGlycoproteinP08667Rabies virus (strain Pasteur vaccins / PV)KnownNot Available
Click to view 3D structureGlucose-6-phosphate 1-dehydrogenaseP11412Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.46
Applicability Domain
0.507
Statistical Significance
6.00e-05
Supporting Reference Compounds
4
E-value
0.467095
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)
Prediction Confidence Score
0.454
Applicability Domain
0.534
Statistical Significance
1.00e-04
Supporting Reference Compounds
38
E-value
0.778492
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.45
Applicability Domain
0.507
Statistical Significance
0.0069
Supporting Reference Compounds
906
E-value
53.7938
Click to view 3D structureEnoyl-acyl-carrier protein reductaseQ965D5Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.448
Applicability Domain
0.507
Statistical Significance
1.50e-04
Supporting Reference Compounds
18
E-value
1.16774
Pyruvate kinase PKM structureClick to view 3D structurePyruvate kinase PKMP14618HumansPredicted (SEA)
Prediction Confidence Score
0.432
Applicability Domain
0.534
Statistical Significance
1.70e-04
Supporting Reference Compounds
29
E-value
1.32344
Click to view 3D structureAlpha-(1,3)-fucosyltransferase 4P22083HumansPredicted (SEA)
Prediction Confidence Score
0.412
Applicability Domain
0.412
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
3-oxoacyl-(Acyl-carrier protein) reductase structureClick to view 3D structure3-oxoacyl-(Acyl-carrier protein) reductaseQ8I2S7Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.412
Applicability Domain
0.412
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Latent membrane protein 1 structureClick to view 3D structureLatent membrane protein 1P03230HHV-4Predicted (SEA)
Prediction Confidence Score
0.412
Applicability Domain
0.412
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Proteasome subunit beta type-5 structureClick to view 3D structureProteasome subunit beta type-5P28074HumansPredicted (SEA)
Prediction Confidence Score
0.409
Applicability Domain
0.507
Statistical Significance
0.0021
Supporting Reference Compounds
72
E-value
16.3483
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseQ965D7Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.409
Applicability Domain
0.507
Statistical Significance
1.50e-04
Supporting Reference Compounds
13
E-value
1.16774
Click to view 3D structure3-oxoacyl-acyl-carrier protein reductaseQ965D6Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.409
Applicability Domain
0.507
Statistical Significance
2.00e-04
Supporting Reference Compounds
12
E-value
1.55698
DNA repair protein RAD52 homolog structureClick to view 3D structureDNA repair protein RAD52 homologP43351HumansPredicted (SEA)
Prediction Confidence Score
0.4
Applicability Domain
0.534
Statistical Significance
6.00e-05
Supporting Reference Compounds
17
E-value
0.467095
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)
Prediction Confidence Score
0.39
Applicability Domain
0.534
Statistical Significance
0.0034
Supporting Reference Compounds
109
E-value
26.6244
6-phosphogluconate dehydrogenase, decarboxylating structureClick to view 3D structure6-phosphogluconate dehydrogenase, decarboxylatingP52209HumansPredicted (SEA)
Prediction Confidence Score
0.382
Applicability Domain
0.507
Statistical Significance
6.00e-05
Supporting Reference Compounds
10
E-value
0.467095
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.534
Statistical Significance
0.0113
Supporting Reference Compounds
472
E-value
88.281
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.534
Statistical Significance
0.0055
Supporting Reference Compounds
242
E-value
43.0506
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.534
Statistical Significance
0.0083
Supporting Reference Compounds
332
E-value
64.6927
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.534
Statistical Significance
0.0099
Supporting Reference Compounds
407
E-value
77.3821
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.534
Statistical Significance
0.0041
Supporting Reference Compounds
193
E-value
31.996
Click to view 3D structureArginaseO96394Leishmania amazonensisPredicted (SEA)
Prediction Confidence Score
0.354
Applicability Domain
0.534
Statistical Significance
3.30e-04
Supporting Reference Compounds
10
E-value
2.56902
Solute carrier organic anion transporter family member 1B1 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B1Q9Y6L6HumansPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.507
Statistical Significance
0.0011
Supporting Reference Compounds
82
E-value
8.32987
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.507
Statistical Significance
0.0448
Supporting Reference Compounds
934
E-value
348.998
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.534
Statistical Significance
0.0032
Supporting Reference Compounds
106
E-value
25.1453
Apoptosis regulator Bcl-2 structureClick to view 3D structureApoptosis regulator Bcl-2P10415HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.507
Statistical Significance
0.003
Supporting Reference Compounds
64
E-value
23.5883
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDFDB007223
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkProcyanidin
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID107876
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available