4',6,7-Trimethoxyisoflavone - Moligand™,≥97% , CAS No.798-61-8

CAS: 798-61-8 Cat. No.: T304661 Peso molecular: 312.32 PubChem CID: 688655

GRADE & PURITY Moligand™, ≥97%

Synonyms

6,7,4'-trimethoxyisoflavone | FT-0710975 | STL434884 | T3410 | DTXSID60350937 | Afromosin 7-O-methyl ether | 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one | 6,7-Dimethoxy-3-(4-methoxyphenyl)chromone | 6,7-DIMETHOXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE |

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

4',6,7-Trimethoxyisoflavone is an isoflavone with antimicrobial activities against a wide range of bacteria and fungi. 4',6,7-Trimethoxyisoflavone also has antioxidant effects. 

Specifications

Sinónimos

6, 7, 4'-trimethoxyisoflavone | FT-0710975 | STL434884 | T3410 | DTXSID60350937 | Afromosin 7-O-methyl ether | 6, 7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one | 6, 7-Dimethoxy-3-(4-methoxyphenyl)chromone | 6, 7-DIMETHOXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE |

Especificaciones y pureza

Moligand™, ≥97%

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.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC
• IUPAC Name: 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
• InChIKey: YHXIOAVHEXKZCQ-UHFFFAOYSA-N
• INCHI: 1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-23-15-9-17(22-3)16(21-2)8-13(15)18(14)19/h4-10H,1-3H3
• Isómeros SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC
• PubChem CID: 688655
• Peso molecular: 312.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Isoflavonoids
      • Subclass O-methylated isoflavonoids
        • Level5 7-O-methylated isoflavonoids
          • Level6 7-O-methylisoflavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Isoflavonoids
• Subclass: O-methylated isoflavonoids
• Intermediate Tree Nodes: 7-O-methylated isoflavonoids
• Direct Parent: 7-O-methylisoflavones
• Alternative Parents: 4'-O-methylisoflavones Isoflavones Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4p-o-methylisoflavone - 7-o-methylisoflavone - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Organoheterocyclic compound - Ether - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 177-181°C
• Peso molecular: 312.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 312.1 Da
• Monoisotopic Mass: 312.1 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 452.000
• 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: 1