Peonidin chloride - ≥98% , CAS No.134-01-0

CAS: 134-01-0 Cat. No.: P342666 Molecular Weight: 336.72 EC Number: 205-125-6 PubChem CID: 164544

GRADE & PURITY ≥98%

Synonyms

C08726 | MFCD00017587 | PEONIDIN [MI] | D0O766G47B | 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium chloride | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium chloride | 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride | SCHE

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Peonidin chloride is an O-methylated anthocyanidin that functions as a primary plant pigment, endowing purplish-red hues to flowers such as the peony, from which it takes its name, as well as berries and vegetables. Peonidin chloride exhibits chemopreventive, as well as anti-inflammatory activities on cancer cells in vitro, blocking COX-2 expression and transformation in JB6 P+ mouse epidermal cells.

Specifications

Synonyms

C08726 | MFCD00017587 | PEONIDIN [MI] | D0O766G47B | 3, 4', 5, 7-Tetrahydroxy-3'-methoxyflavylium chloride | 3, 5, 7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium chloride | 1-Benzopyrylium, 3, 5, 7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride | SCHE

Specifications & Purity

≥98%

Storage

Protected from light, 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

≥98%

Names and Identifiers

• Pubchem Sid: 504757545
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757545
• Canonical Smiles: COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-]
• IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol;chloride
• InChIKey: OGBSHLKSHNAPEW-UHFFFAOYSA-N
• INCHI: 1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H
• Isomeric SMILES: COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-]
• WGK Germany: 3
• PubChem CID: 164544
• Molecular Weight: 336.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 3'-O-methylated flavonoids
• Alternative Parents: 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Methoxyphenols 1-benzopyrans Methoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Oxacyclic compounds Polyols Hydrocarbon derivatives Organic zwitterions Organic chloride salts
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3p-methoxyflavonoid-skeleton - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Benzopyran - Methoxyphenol - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Polyol - Organic salt - Organic chloride salt - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone.
• External Descriptors: anthocyanidin chloride

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water, and 100% ethanol.
• Sensitivity: Light & Moisture sensitive
• Molecular Weight: 336.720 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 336.04 Da
• Monoisotopic Mass: 336.04 Da
• Topological Polar Surface Area: 91.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 378.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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