Cas no 16280-27-6 (4H-1-Benzopyran-4-one,3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-)

4H-1-Benzopyran-4-one,3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)- structure
16280-27-6 structure
Product Name:4H-1-Benzopyran-4-one,3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-
CAS No:16280-27-6
MF:C16H12O8
MW:332.261685371399
CID:204000
PubChem ID:44259636
Update Time:2025-04-19

4H-1-Benzopyran-4-one,3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-
    • 3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
    • EUROPETIN
    • 7-methylmyricetin
    • PD194934
    • PC84K5ZS4X
    • UNII-PC84K5ZS4X
    • myricetin 7-O-methyl ether
    • 3,5,3',4',5'-Pentahydroxy-7-methoxyflavone
    • Flavone, 3,3',4',5,5'-pentahydroxy-7-methoxy-
    • LMPK12112664
    • 16280-27-6
    • CHEBI:145786
    • 4H-1-Benzopyran-4-one, 3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-
    • 3,5-Dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
    • SCHEMBL12640013
    • Q5413727
    • DTXSID80658068
    • 3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
    • 7-O-methylmyricetin
    • CHEMBL5288812
    • DTXCID90608817
    • BDBM50405475
    • Inchi： 1S/C16H12O8/c1-23-7-4-8(17)12-11(5-7)24-16(15(22)14(12)21)6-2-9(18)13(20)10(19)3-6/h2-5,17-20,22H,1H3
    • InChI Key： BDZXSHDKBKYQKJ-UHFFFAOYSA-N
    • SMILES： O1C(=C(C(C2C(=CC(=CC1=2)OC)O)=O)O)C1C=C(C(=C(C=1)O)O)O

Computed Properties

  • Exact Mass: 332.05316
  • Monoisotopic Mass: 332.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 520
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 137A^2

Experimental Properties

  • PSA: 136.68

4H-1-Benzopyran-4-one,3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)- Related Literature

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