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

CAS: 643-84-5 Cat. No.: M304262 Peso molecular: 331.303545 Número EC: 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

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: 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
    • Clase Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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

Objetivos asociados (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

Objetivos asociados (no 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 acción

Propiedades químicas y físicas

• Punto de ebullición (°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