Proanthocyanidins - ≥95% , CAS No.20347-71-1

CAS: 20347-71-1 Cat. No.: P413229

GRADE & PURITY ≥95%

Synonyms

DTXSID90858698 | Procyanidins | CCG-270178 | A908663 | BCP25503 | CHEBI:166895 | 2H-1-Benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl]oxy]-3,4-dihydro- | 2-(3,4-dihydroxyphenyl)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Proanthocyanidin (Procyanidin) are a class of polyphenolic that are widely distributed in higher plants, consisted of an electrophilic flavanyl unit. Proanthocyanidin can be used as antioxidant and anti-cancers agent. Proanthocyanidin also exhibit anti-inflammatory, cardioprotective, antibacterial and antifungal properties, which can be used in the treatment of chronic venous insufficiency, capillary fragility, sunburn and retinopathy.

Specifications

Synonyms

DTXSID90858698 | Procyanidins | CCG-270178 | A908663 | BCP25503 | CHEBI:166895 | 2H-1-Benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl]oxy]-3,4-dihydro- | 2-(3,4-dihydroxyphenyl)

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Proanthocyanidins (PAs), also known as condensed tannins, are a class of polyphenols found in a variety of plants. They are very Solidful antioxidants that remove harmful free oxygen radicals from cells.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504756636
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756636
• Canonical Smiles: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C=C6)O)O
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol
• InChIKey: HGVVOUNEGQIPMS-UHFFFAOYSA-N
• INCHI: 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
• Isomeric SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C=C6)O)O
• Alternate CAS: 4852-22-6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass Flavans
        • Level5 Flavan-3-ols
          • Level6 Catechins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: Flavan-3-ols
• Direct Parent: Catechins
• Alternative Parents: 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 4-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids 1-benzopyrans Benzylethers Catechols Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Ketals 1,2-diols Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• 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
• Description: This compound belongs to the class of organic compounds known as catechins. These are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 100 mg/mL (168.2 mM); Ethanol: 100 mg/mL (168.2 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 168.20292
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 594.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 594.137 Da
• Monoisotopic Mass: 594.137 Da
• Topological Polar Surface Area: 230.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 957.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 20347-71-1. InChIKey HGVVOUNEGQIPMS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.