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    Sinensetin

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 78,720Xls

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    2D Structure
    Also known as: 2306-27-6, Pedalitin permethyl ether, 5,6,7,3',4'-pentamethoxyflavone, 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4h-chromen-4-one, 3',4',5,6,7-pentamethoxyflavone, 4h-1-benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-
    Molecular Formula
    C20H20O7
    Molecular Weight
    372.4  g/mol
    InChI Key
    LKMNXYDUQXAUCZ-UHFFFAOYSA-N
    FDA UNII
    240LNZ51AT
    sinensetin is a natural product found in Citrus tankan, Citrus keraji, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one
    2.1.2 InChI
    InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
    2.1.3 InChI Key
    LKMNXYDUQXAUCZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    240LNZ51AT
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3',4',5,6,7-pentamethoxyflavone

    2.3.2 Depositor-Supplied Synonyms

    1. 2306-27-6

    2. Pedalitin Permethyl Ether

    3. 5,6,7,3',4'-pentamethoxyflavone

    4. 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4h-chromen-4-one

    5. 3',4',5,6,7-pentamethoxyflavone

    6. 4h-1-benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-

    7. 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one

    8. 240lnz51at

    9. Chebi:9159

    10. Chembl226507

    11. 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4h-1-benzopyran-4-one

    12. Sr-05000002257

    13. 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromen-4-one

    14. Unii-240lnz51at

    15. 27181-91-5

    16. Schembl621101

    17. Megxp0_000957

    18. Dtxsid60177626

    19. Hy-n0297

    20. Zinc1531698

    21. 3`,4`,5,6,7-pentamethoxyflavone

    22. Bdbm50338975

    23. Lmpk12111250

    24. Mfcd00017421

    25. S9227

    26. Akos016009570

    27. Ccg-208419

    28. Cs-5907

    29. Flavone, 5,6,7,3',4'-pentamethoxy

    30. 3'',4'',5,6,7-pentamethoxy Flavone

    31. 5,6,7,3'',4'' -pentamethoxyflavone

    32. Ncgc00163623-01

    33. Ac-34822

    34. Bs-16575

    35. Db-046067

    36. Ft-0634191

    37. N2560

    38. Flavone, 3',4',5,6,7-pentamethoxy-

    39. 306s276

    40. A816546

    41. Q3484909

    42. Sr-05000002257-2

    43. Sr-05000002257-3

    44. Brd-k84996949-001-01-5

    45. B0005-407401

    46. 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4h-chromen-4-one #

    47. 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromen-4-one;sinensetin

    2.4 Create Date
    2005-03-28
    3 Chemical and Physical Properties
    Molecular Weight 372.4 g/mol
    Molecular Formula C20H20O7
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass372.12090297 g/mol
    Monoisotopic Mass372.12090297 g/mol
    Topological Polar Surface Area72.4 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity548
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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