Cas no 129145-54-6 (4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-)

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)- structure
129145-54-6 structure
Product Name:4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-
CAS No:129145-54-6
MF:C20H18O7
MW:370.352726459503
CID:212554
PubChem ID:5481966
Update Time:2025-04-19

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-
    • 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
    • SCHEMBL1170933
    • DTXSID90156080
    • LMPK12112285
    • CHEMBL463452
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-
    • OCIIFJFJVOTFTN-UHFFFAOYSA-N
    • 2-(3,4-Bis(oxidanyl)phenyl)-6-(3-methylbut-2-enyl)-3,5,7-tris(oxidanyl)chromen-4-one
    • Gancaonin P
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
    • 6-prenylquercetin
    • Y8FPV4J8AA
    • CHEBI:175755
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
    • 129145-54-6
    • 2-(3,4-dihydroxyphenyl)-3 ,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4h-1-benzopyran-4-one
    • Inchi： 1S/C20H18O7/c1-9(2)3-5-11-13(22)8-15-16(17(11)24)18(25)19(26)20(27-15)10-4-6-12(21)14(23)7-10/h3-4,6-8,21-24,26H,5H2,1-2H3
    • InChI Key： OCIIFJFJVOTFTN-UHFFFAOYSA-N
    • SMILES： O1C(C2C=CC(=C(C=2)O)O)=C(C(C2C(=C(C(=CC1=2)O)C/C=C(\C)/C)O)=O)O

Computed Properties

  • Exact Mass: 370.10524
  • Monoisotopic Mass: 370.105253
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 3
  • Complexity: 636
  • 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
  • Topological Polar Surface Area: 127
  • XLogP3: 4.1

Experimental Properties

  • Density: 1.519
  • Boiling Point: 655.6°C at 760 mmHg
  • Flash Point: 237.1°C
  • Refractive Index: 1.723
  • PSA: 127.45

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)- Related Literature

Related Categories

129145-54-6 (4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-) Related Products

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