Malvinidol Chloride - ≥98%(HPLC) , CAS No.643-84-5

CAS: 643-84-5 Cat. No.: M304262 Fórmula: C17H15O7•Cl Peso molecular: 331.303545 Número CE: 211-403-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-Benzopyrylium,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride | Flavylium,4',5,7-tetrahydroxy-3',5'-dimethoxy-, chloride | Malvidin chloride, analytical standard | Oenidin | FT-0632733 | MALVIDINCHLORIDE | MALVIDIN CHLORIDE [MI] | UNII-GL5KG

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1-Benzopyrylium,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride | Flavylium,4',5,7-tetrahydroxy-3',5'-dimethoxy-, chloride | Malvidin chloride, analytical standard | Oenidin | FT-0632733 | MALVIDINCHLORIDE | MALVIDIN CHLORIDE [MI] | UNII-GL5KG

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Nomes e identificadores

Sorrisos canónicos

COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]

IUPAC Name

2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol;chloride

InChIKey

KQIKOUUKQBTQBE-UHFFFAOYSA-N

INCHI

1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7H,1-2H3,(H3-,18,19,20,21);1H

SMILES isoméricas

COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]

Peso molecular

331.303545

Reaxy-Rn

3898154

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3898154&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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 Dimethoxybenzenes 1-benzopyrans 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 - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3-hydroxyflavonoid - Anthocyanidin - 1-benzopyran - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Benzopyran - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic chloride salt - Aromatic heteropolycyclic compound
• Descrição: 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: 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

Alvos associados (humanos)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

DPP4 Dipeptidyl peptidase IV (11 Activities)

Discover Target: DPP4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de ebulição (°C): 66-67\xa0°C
• Peso molecular: 366.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 366.051 Da
• Monoisotopic Mass: 366.051 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 406.000
• 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

XLogP3

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 643-84-5, the molecular formula is C17H15O7?Cl, and the molecular weight is 331.303545 g/mol. InChIKey KQIKOUUKQBTQBE-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.