3-Methoxyflavone - ≥98%(GC) , CAS No.7245-02-5

CAS: 7245-02-5 Cat. No.: M158435 分子式: C₁₆H₁₂O₃ 分子量: 252.27

GRADE & PURITY ≥98%(GC)

Synonyms

4H-1-Benzopyran-4-one, 3-methoxy-2-phenyl- | CCG-250410 | V3ZW15O8B6 | PD158827 | FLAVONE, 3-METHOXY- | BDBM50439849 | 3-methoxy-2-phenyl-4H-chromen-4-one | AKOS015916540 | M2364 | T72880 | FT-0636402 | 3-Methoxyflavon | HY-N9499 | InChI=1/C16H12O3/c1-18-

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

4H-1-Benzopyran-4-one, 3-methoxy-2-phenyl- | CCG-250410 | V3ZW15O8B6 | PD158827 | FLAVONE, 3-METHOXY- | BDBM50439849 | 3-methoxy-2-phenyl-4H-chromen-4-one | AKOS015916540 | M2364 | T72880 | FT-0636402 | 3-Methoxyflavon | HY-N9499 | InChI=1/C16H12O3/c1-18-

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488188198
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488188198
• カノニカル・スマイル: COC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
• IUPAC Name: 3-methoxy-2-phenylchromen-4-one
• InChIKey: ZAIANDVQAMEDFL-UHFFFAOYSA-N
• INCHI: 1S/C16H12O3/c1-18-16-14(17)12-9-5-6-10-13(12)19-15(16)11-7-3-2-4-8-11/h2-10H,1H3
• 異性体SMILES: COC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
• 分子量: 252.27
• Reaxy-Rn: 219606
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=219606&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-O-methylated flavonoids
• Alternative Parents: Flavones 3-methoxychromones Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-methoxyflavonoid-skeleton - Flavone - 3-methoxychromone - Chromone - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• 説明: 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

関連ターゲット（人間）

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

Discover Target: ABCG2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: soluble in hot methanol
• 融点（°C）: 112.0 - 116.0 °C
• 分子量: 252.260 g/mol
• XLogP3: 3.700
• 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: 379.000
• 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

参考文献

1. Haolin Zhang, Jingjing Zhang, Hui Cao, Petra Högger, Randolph Arroo, Mohamed A. Farag, Avi Shpigelman, Jianbo Xiao, Chunlin Li.  (2025)  Amination of Flavonoids Possessing a Pyrogallol Group in Cell Culture Medium at 37°C.  Food Frontiers,  6  (2): (1058-1078).  [PMID:] [10.1002/fft2.70002]

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 7245-02-5, the molecular formula is C16H12O3, and the molecular weight is 252.27 g/mol. InChIKey ZAIANDVQAMEDFL-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.