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    Tangeretin

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 481-53-8, Tangeritin, Ponkanetin, Pentamethoxyflavone, 4',5,6,7,8-pentamethoxyflavone, 5,6,7,8,4'-pentamethoxyflavone
    Molecular Formula
    C20H20O7
    Molecular Weight
    372.4  g/mol
    InChI Key
    ULSUXBXHSYSGDT-UHFFFAOYSA-N
    FDA UNII
    I4TLA1DLX6
    tangeretin is a natural product found in Ficus erecta var. beecheyana, Citrus tankan, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
    2.1.2 InChI
    InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
    2.1.3 InChI Key
    ULSUXBXHSYSGDT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    I4TLA1DLX6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4',5,6,7,8-pentamethoxy-flavone

    2. 4',5,6,7,8-pentamethoxyflavone

    3. Tangeritin

    2.3.2 Depositor-Supplied Synonyms

    1. 481-53-8

    2. Tangeritin

    3. Ponkanetin

    4. Pentamethoxyflavone

    5. 4',5,6,7,8-pentamethoxyflavone

    6. 5,6,7,8,4'-pentamethoxyflavone

    7. 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one

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

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

    10. Nsc 53909

    11. 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone

    12. Nsc53909

    13. Nsc-53909

    14. I4tla1dlx6

    15. Flavone, 4',5,6,7,8-pentamethoxy-

    16. Chembl73930

    17. Mls002667634

    18. Chebi:9400

    19. 4h-1-benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-

    20. 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4h-1-benzopyran-4-one

    21. Nsc618905

    22. Flavone, 5,6,7,8,4'-pentamethoxy

    23. Nsc-618905

    24. Tangeritin; Nsc53909; Nsc618905

    25. Tangeretin (6ci)

    26. Einecs 207-570-1

    27. Unii-i4tla1dlx6

    28. Brn 0351695

    29. Ai3-23869

    30. 4',5,6,7,8-pentamethoxy-flavone

    31. Mfcd00017438

    32. Tangeretin;tangeratin

    33. Tangeretin (tangeritin)

    34. 2-(4-methoxyphenyl)-5,6,7,8-tetramethoxy-4h-1-benzopyran-4-one

    35. Spectrum2_001698

    36. Spectrum3_000920

    37. Spectrum4_001019

    38. Tangeritin [inci]

    39. Tangeretin [who-dd]

    40. Schembl19740

    41. Kbiogr_001517

    42. 5-18-05-00491 (beilstein Handbook Reference)

    43. Flavone, 4',5,6,7,8-pentamethoxy- (7ci,8ci)

    44. Spectrum1505269

    45. Spbio_001656

    46. Tangeretin, Analytical Standard

    47. Megxp0_001011

    48. Tangeretin, >=95% (hplc)

    49. Acon1_001263

    50. Kbio3_001900

    51. Dtxsid30197417

    52. Flavone,5,6,7,8-pentamethoxy-

    53. Hms3651a22

    54. Hy-n0133

    55. Zinc1531699

    56. 4'',5,6,7,8-pentamethoxyflavone

    57. 4h-1-benzopyran-4-one, 2-(4-methoxyphenyl)-5,6,7,8-tetramethoxy-

    58. 5,6,7,8,4''-pentamethoxyflavone

    59. Bdbm50209218

    60. Ccg-38782

    61. Lmpk12111443

    62. S2363

    63. Akos015895209

    64. Ac-1699

    65. Cs-5484

    66. Nsc 618905

    67. Sdccgmls-0066766.p001

    68. Ncgc00095850-01

    69. Ncgc00095850-02

    70. Ncgc00169520-01

    71. As-11637

    72. Nci60_004330

    73. Smr001557394

    74. Ft-0632194

    75. N2077

    76. Sw219232-1

    77. T2708

    78. 481t538

    79. A827490

    80. Sr-05000002625

    81. Cu-01000013437-2

    82. Q-100525

    83. Q1748737

    84. Sr-05000002625-1

    85. Brd-k25186396-001-02-1

    86. Brd-k25186396-001-04-7

    87. 4h-1-benzopyran-4-one,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-

    88. 4h-1-benzopyran-4-one,6,7,8-tetramethoxy-2-(p-methoxyphenyl)-

    89. 4h-1-benzopyran-4-one, 5,6,7,8-tetra-methoxy-2-(4-methoxyphenyl)-

    90. 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4h-1-benzopyran-4-one, 9ci

    2.4 Create Date
    2005-03-26
    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
    Complexity540
    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 Metabolism/Metabolites

    Tangeretin has known human metabolites that include 4'-Hydroxy-5,6,7,8-tetramethoxyflavone and 5,6-Dihydroxy-7,8,4'-trimethoxyflavone.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560