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

CAS: 7245-02-5 Cat. No.: M158435 Molecular Weight: 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

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-

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488188198
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188198
• Canonical Smiles: 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
• Isomeric SMILES: COC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
• Molecular Weight: 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
    • 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: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: soluble in hot methanol
• Melt Point(°C): 112.0 - 116.0 °C
• Molecular Weight: 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

References

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]