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    Technical details about MolPort-001-740-780, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-001-740-780

    ANALYTICAL SOLUTION(s)

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: Luteoloside, 5373-11-5, Luteolin 7-glucoside, Luteolin-7-o-glucoside, Cinaroside, Glucoluteolin
    Molecular Formula
    C21H20O11
    Molecular Weight
    448.4  g/mol
    InChI Key
    PEFNSGRTCBGNAN-QNDFHXLGSA-N
    FDA UNII
    98J6XDS46I
    luteolin 7-O-glucoside is a natural product found in Verbascum lychnitis, Carex fraseriana, 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-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    2.1.2 InChI
    InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
    2.1.3 InChI Key
    PEFNSGRTCBGNAN-QNDFHXLGSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    98J6XDS46I
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-5-hydroxy-

    2. Cinaroside

    3. Galuteolin

    4. Luteolin-7-beta-d-glucoside

    5. Luteolin-7-glucoside

    6. Luteolin-7-o-beta-d-glucopyranoside

    7. Luteolin-7-o-glucoside

    8. Luteolin-7-o-monoglucoside

    9. Luteoloside

    10. Nephrocizin

    11. Nephrocizine

    2.3.2 Depositor-Supplied Synonyms

    1. Luteoloside

    2. 5373-11-5

    3. Luteolin 7-glucoside

    4. Luteolin-7-o-glucoside

    5. Cinaroside

    6. Glucoluteolin

    7. Luteolin 7-o-glucoside

    8. 7-glucoluteolin

    9. 7-glucosylluteolin

    10. Luteolin-7-glucoside

    11. Luteolin 7-monoglucoside

    12. Luteolin 7-o-beta-d-glucoside

    13. Luteolin 7-o-glucopyranoside

    14. Flavopurposide

    15. Daphneflavonoloside

    16. 7-o-beta-d-glucosyl-5,7,3',4'-tetrahydroxyflavone

    17. Mls002473222

    18. 98j6xds46i

    19. Chembl233929

    20. 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

    21. 26811-41-6

    22. Luteolin 7-.beta.-d-glucoside

    23. Chebi:27994

    24. Smr000232358

    25. 2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-5-hydroxy-4h-1-benzopyran-4-one

    26. Luteolin-7-o-d-glucopyranoside

    27. Nephrocizin

    28. Luteolin Glucoside

    29. 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4h-chromen-7-yl Beta-d-glucopyranoside

    30. 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-d-glucopyranosyloxy)-5-hydroxy-

    31. 4h-1-benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(b-d-glucopyranosyloxy)-5-hydroxy-

    32. 7-(beta-d-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4h-chromen-4-one

    33. 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one

    34. 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4h-chromen-4-one

    35. Luteolin, Glucoside

    36. Nephrocizine

    37. Luteolin Monoglucoside

    38. Sr-01000867987

    39. Nsc-724451

    40. 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-4h-chromen-4-one

    41. Einecs 226-365-8

    42. Mfcd06799436

    43. Luteolin 7-beta-glucoside

    44. Luteolin 7-o-d-glucoside

    45. Flavon, 3',4',5,7-tetrahydroxy-, Glucoside

    46. Luteolin 7-o--d-glucoside

    47. 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-5-hydroxy-

    48. Luteolin-7-o-beta-glucoside

    49. Unii-98j6xds46i

    50. Luteolin 7-o-b-d-glucoside

    51. Luteolin-7-d-glucopyranoside

    52. Schembl149118

    53. Luteolin 7-b-d-glucopyranoside

    54. Megxp0_000619

    55. Luteolin-7-o-glucoside ,(s)

    56. Regid_for_cid_657946

    57. Cid_5280637

    58. Dtxsid50949617

    59. Regid_for_cid_5280637

    60. Hms2224o21

    61. Luteolin 7-glucoside [mi]

    62. Flavone, 3',4',5,7-tetrahydroxy-, Mono-beta-d-glucopyranoside

    63. Hy-n0540

    64. Zinc4096258

    65. 7-.beta.-d-glucosylluteolin

    66. Bdbm50241242

    67. Luteolin 7-.beta.-d-glucopyranoside

    68. S9018

    69. Akos015903261

    70. Ac-6054

    71. Ccg-269211

    72. Cs-5712

    73. Luteolin 7-o-.beta.-glucoside

    74. Nsc 724451

    75. Luteolin 7-o-.beta.-d-glucoside

    76. Luteolin 7-o-glucoside [usp-rs]

    77. Ncgc00163589-01

    78. Ncgc00163589-02

    79. As-73889

    80. Luteolin 7-glucoside, Analytical Standard

    81. Luteolin 5-o-.beta.-glucopyranoside

    82. Luteolin 7-o-.beta.-glucopyranoside

    83. N1724

    84. N2724

    85. Luteolin 7-o-.beta.-d-glucopyranoside

    86. Luteolin, 7-.beta.-d-glucopyranoside

    87. Luteolin-7-o-4c1-.beta.-d-glucoside

    88. C03951

    89. 373l115

    90. Luteolin 7-o-beta-d-glucoside, >=98.0% (hplc)

    91. Luteolin-7-o-glucoside 1000 Microg/ml In Ethanol

    92. Q2317288

    93. Sr-01000867987-2

    94. Sr-01000867987-3

    95. 7-(.beta.-d-glucosyloxy)-3',4',5-trihydroxyflavone

    96. Luteolin 7-glucoside, Primary Pharmaceutical Reference Standard

    97. 3',4',5,7-tetrahydroxyflavone 7-.beta.-d-glucopyranoside

    98. 3',4',5-trihydroxyflavone 7-o-.beta.-d-glucopyranoside

    99. 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4h-chromen-7-yl Hexopyranoside #

    100. Luteolin 7-o-glucoside, United States Pharmacopeia (usp) Reference Standard

    101. 4h-1-benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(

    102. A-d-glucopyranosyloxy)-5-hydroxy-

    103. 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one

    104. 2-(3,4-dihydroxyphenyl)-7-(.beta.-d-glucopyranosyloxy)-5-hydroxy-4h-1-benzopyran-4-one

    105. 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Mono-beta-d-glucopyranoside

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 448.4 g/mol
    Molecular Formula C21H20O11
    XLogP30.5
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count4
    Exact Mass448.10056145 g/mol
    Monoisotopic Mass448.10056145 g/mol
    Topological Polar Surface Area186 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity714
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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