6-Methoxyflavone - ≥97% , CAS No.26964-24-9

CAS: 26964-24-9 Cat. No.: M157947 Fórmula: C₁₆H₁₂O₃ Peso molecular: 252.27 Beilstein Registry Number: 18(5)2,257 Número CE: 248-144-5

GRADE & PURITY ≥97%

Synonyms

SY109103 | QAX7R06N2Q | Flavone, 6-methoxy- | 4H-1-Benzopyran-4-one,6-methoxy-2-phenyl- | CCG-250451 | J-016633 | LMPK12110100 | MFCD00017322 | SCHEMBL312059 | MLS002473406 | D-alpha-Amino-3-indolepropionic acid | BCP9000698 | CHEBI:193017 | D81756 | EINE

Storage

Room temperature

Shipped In

Normal

Visão geral

6-Methoxyflavone is one of the methoxyflavone isolated form Pimelea decora. Synthesis of 6-methoxyflavone from p-dihydroxybenzene has been reported.

Specifications

Sinónimos

SY109103 | QAX7R06N2Q | Flavone, 6-methoxy- | 4H-1-Benzopyran-4-one,6-methoxy-2-phenyl- | CCG-250451 | J-016633 | LMPK12110100 | MFCD00017322 | SCHEMBL312059 | MLS002473406 | D-alpha-Amino-3-indolepropionic acid | BCP9000698 | CHEBI:193017 | D81756 | EINE

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504757307

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757307

Sorrisos canónicos

COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3

IUPAC Name

6-methoxy-2-phenylchromen-4-one

InChIKey

XZQLSABETMKIGG-UHFFFAOYSA-N

INCHI

1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3

SMILES isoméricas

COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3

WGK Alemanha

2

RTECS

DJ3100438

Peso molecular

252.27

Beilstein

18(5)2,257

Reaxy-Rn

218520

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=218520&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: 6-O-methylated flavonoids
• Alternative Parents: Flavones 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: 6-methoxyflavonoid-skeleton - Flavone - Chromone - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 6-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C6 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

Alvos associados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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AR Tclin Androgen Receptor (11781 Activities)

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MCF7 (126967 Activities)

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A2780 (11979 Activities)

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ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)

Discover Target: ABCG2

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TNKS Tchem Tankyrase-1 (1241 Activities)

Discover Target: TNKS

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Alvos associados (não humanos)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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Rattus norvegicus (775804 Activities)

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RAW264.7 (28094 Activities)

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Spodoptera litura (1708 Activities)

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Gabrp GABA-A receptor; anion channel (5731 Activities)

Discover Target: Gabrp

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive.
• Ponto de fusão (°C): 162-166°C
• Peso molecular: 252.260 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.079 Da
• Monoisotopic Mass: 252.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 368.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 26964-24-9, the molecular formula is C16H12O3, and the molecular weight is 252.27 g/mol. InChIKey XZQLSABETMKIGG-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.