Free Chemical Databases



  • [Synonyms]
    PURPURASCENIN
    NSC369868
    3,5,6,7,8,2',4',5'-Octamethoxyflavone
    79105-52-5

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight462.44654 [g/mol]
    Molecular FormulaC23H26O10
    XLogP2.5
    H-Bond Donor0
    H-Bond Acceptor10
    Rotatable Bond Count9
    Exact Mass462.152597
    MonoIsotopic Mass462.152597
    Topological Polar Surface Area100
    Heavy Atom Count33
    Formal Charge0
    Complexity697
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 3,5,6,7,8-pentamethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
    Canonical SMILES: COC1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC)OC
    InChI: InChI=1/C23H26O10/c1-25-12-10-14(27-3)13(26-2)9-11(12)17-20(29-5)16(24)
    15-18(28-4)21(30-6)23(32-8)22(31-7)19(15)33-17/h9-10H,1-8H3



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