5,6,7-Trihydroxy-4′-methoxyflavone - ≥95% , CAS No.6563-66-2

CAS: 6563-66-2 Cat. No.: T463116 Molecular Weight: 300.26 PubChem CID: 11174076

GRADE & PURITY ≥95%

Synonyms

4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(4-methoxyphenyl)- | 5,6,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one | Scutellarein 4'-methyl ether | 5,6,7-trihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one | SCHEMBL6242511

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4H-1-Benzopyran-4-one, 5, 6, 7-trihydroxy-2-(4-methoxyphenyl)- | 5, 6, 7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one | Scutellarein 4'-methyl ether | 5, 6, 7-trihydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one | SCHEMBL6242511

Specifications & Purity

≥95%

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.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O
• IUPAC Name: 5,6,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
• InChIKey: XVMMEYCPXZYLAI-UHFFFAOYSA-N
• INCHI: 1S/C16H12O6/c1-21-9-4-2-8(3-5-9)12-6-10(17)14-13(22-12)7-11(18)15(19)16(14)20/h2-7,18-20H,1H3
• Isomeric SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O
• PubChem CID: 11174076
• Molecular Weight: 300.26

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: 4'-O-methylated flavonoids
• Alternative Parents: 5-hydroxyflavonoids 6-hydroxyflavonoids 7-hydroxyflavonoids Flavones Chromones Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4p-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 5-hydroxyflavonoid - 6-hydroxyflavonoid - 7-hydroxyflavonoid - Chromone - 1-benzopyran - Benzopyran - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Vinylogous acid - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Polyol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone.
• External Descriptors: Flavones and Flavonols

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: DMSO: 1mg/mL
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 300.260 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 300.063 Da
• Monoisotopic Mass: 300.063 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 454.000
• 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