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    Nobiletin

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
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    2D Structure
    Also known as: 478-01-3, Hexamethoxyflavone, 3',4',5,6,7,8-hexamethoxyflavone, 5,6,7,8,3',4'-hexamethoxyflavone, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4h-1-benzopyran-4-one
    Molecular Formula
    C21H22O8
    Molecular Weight
    402.4  g/mol
    InChI Key
    MRIAQLRQZPPODS-UHFFFAOYSA-N
    FDA UNII
    D65ILJ7WLY
    nobiletin 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)-5,6,7,8-tetramethoxychromen-4-one
    2.1.2 InChI
    InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
    2.1.3 InChI Key
    MRIAQLRQZPPODS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    D65ILJ7WLY
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Hexamethoxyflavone

    2.3.2 Depositor-Supplied Synonyms

    1. 478-01-3

    2. Hexamethoxyflavone

    3. 3',4',5,6,7,8-hexamethoxyflavone

    4. 5,6,7,8,3',4'-hexamethoxyflavone

    5. 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one

    6. 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4h-1-benzopyran-4-one

    7. Nsc-76751

    8. D65ilj7wly

    9. 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4h-chromen-4-one

    10. 4h-1-benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-

    11. Chembl76447

    12. Nobiletin (hexamethoxyflavone)

    13. Chebi:7602

    14. Nsc76751

    15. Nsc-618903

    16. Flavone, 5,6,7,8,3',4'-hexamethoxy

    17. Smr000156231

    18. Ccris 9012

    19. Unii-d65ilj7wly

    20. Nsc 76751

    21. Mfcd03273560

    22. Cpd000156231

    23. Nobiletin, >=97%

    24. Nobiletin [inci]

    25. Spectrum2_001697

    26. Spectrum3_000921

    27. Spectrum4_001020

    28. Nobiletin [usp-rs]

    29. Kbiogr_001519

    30. Mls000574877

    31. Mls000759462

    32. Mls000877030

    33. Mls001424129

    34. Nobiletin, Analytical Standard

    35. Schembl244029

    36. Spectrum1505268

    37. Spbio_001654

    38. Megxp0_000930

    39. Acon1_000921

    40. Kbio3_001922

    41. Dtxsid30197275

    42. 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one

    43. Hms2051d09

    44. Hms2234a09

    45. Hms3373c14

    46. Hms3393d09

    47. Hms3651g20

    48. Hexamethoxyflavone [who-dd]

    49. Hy-n0155

    50. Zinc1531669

    51. 3'4'5,6,7,8-hexamethoxyflavone

    52. Bdbm50338976

    53. Ccg-38781

    54. Lmpk12111468

    55. Nsc618903

    56. Stl565829

    57. Akos015965334

    58. Nobiletin, 20% (technical Grade)

    59. Ac-1023

    60. Cs-5518

    61. Nc00186

    62. Sdccgmls-0066776.p001

    63. Ncgc00095703-01

    64. Ncgc00095703-02

    65. Ncgc00095703-06

    66. Ncgc00169228-01

    67. 5,6,7,8,3'',4''-hexamethoxyflavone

    68. As-17452

    69. Nci60_041691

    70. Db-050181

    71. Ft-0686667

    72. N0871

    73. N1311

    74. S2333

    75. Sw197566-2

    76. A827343

    77. Flavone, 3',4',5,6,7,8-hexamethoxy-

    78. Sr-01000712262

    79. Q-100511

    80. Q2402963

    81. Sr-01000712262-5

    82. Brd-k06753942-001-02-0

    83. 2-(3,4-dimethoxy-phenyl)-5,6,7,8-tetramethoxy-chromen-4-one

    84. 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]oxazole

    85. 4h-1-benzopyran-4-one,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-

    86. 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4h-1-benzopyran-4-one, 9ci

    87. 3 Inverted Exclamation Mark ,4 Inverted Exclamation Mark ,5,6,7,8-hexamethoxyflavone

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 402.4 g/mol
    Molecular Formula C21H22O8
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass402.13146766 g/mol
    Monoisotopic Mass402.13146766 g/mol
    Topological Polar Surface Area81.7 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity593
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antioxidants

    Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)