3-Hydroxy-7-methoxyflavone , CAS No.7478-60-6

CAS: 7478-60-6 Cat. No.: H487269 Fórmula: C₁₆H₁₂O₄ Peso molecular: 268.26

Synonyms

Benzenemethanol, .alpha.-methyl-, (.alpha.R)- | NSC401510 | NSC-401510 | 3-hydroxy-7-methoxy-2-phenyl-chromen-4-one | 3-hydroxy-7-methoxy-2-phenylchromen-4-one | Methyl cinnamate, (E) | 3-Hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one | UNII-0ZT4X5SA77 | ACo

Storage

Room temperature

Specifications

Sinónimos

Benzenemethanol, .alpha.-methyl-, (.alpha.R)- | NSC401510 | NSC-401510 | 3-hydroxy-7-methoxy-2-phenyl-chromen-4-one | 3-hydroxy-7-methoxy-2-phenylchromen-4-one | Methyl cinnamate, (E) | 3-Hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one | UNII-0ZT4X5SA77 | ACo

Condições de armazenamento de armazenamento

Room temperature

Nomes e identificadores

• Sorrisos canónicos: COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=CC=C3)O
• IUPAC Name: 3-hydroxy-7-methoxy-2-phenylchromen-4-one
• InChIKey: IPRIGHIBTRMTDP-UHFFFAOYSA-N
• INCHI: 1S/C16H12O4/c1-19-11-7-8-12-13(9-11)20-16(15(18)14(12)17)10-5-3-2-4-6-10/h2-9,18H,1H3
• SMILES isoméricas: COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=CC=C3)O
• WGK Alemanha: 3
• Peso molecular: 268.26
• Reaxy-Rn: 237975
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=237975&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonols
• Alternative Parents: 7-O-methylated flavonoids 3-hydroxyflavonoids Chromones Anisoles Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 7-methoxyflavonoid-skeleton - 3-hydroxyflavone - 3-hydroxyflavonoid - Hydroxyflavonoid - Chromone - 1-benzopyran - Benzopyran - Anisole - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as flavonols. These are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
• 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)

KB (17409 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 268.260 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 268.074 Da
• Monoisotopic Mass: 268.074 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 409.000
• 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