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    Phlorhizin

    ACTIVE PHARMA INGREDIENTS

    RELATED EXCIPIENT COMPANIES

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    2D Structure
    Also known as: Phloridzin, 60-81-1, Phlorhizin, Phlorizoside, Floridzin, Phlorrhizin
    Molecular Formula
    C21H24O10
    Molecular Weight
    436.4  g/mol
    InChI Key
    IOUVKUPGCMBWBT-QNDFHXLGSA-N
    FDA UNII
    CU9S17279X
    phlorizin is a natural product found in Malus doumeri, Vaccinium macrocarpon, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
    2.1.2 InChI
    InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
    2.1.3 InChI Key
    IOUVKUPGCMBWBT-QNDFHXLGSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    CU9S17279X
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Phlorhizin

    2. Phloridzin

    2.3.2 Depositor-Supplied Synonyms

    1. Phloridzin

    2. 60-81-1

    3. Phlorhizin

    4. Phlorizoside

    5. Floridzin

    6. Phlorrhizin

    7. Phloretin 2'-glucoside

    8. Phloridzosid

    9. Phlorrhizen

    10. Phlorizine

    11. Phloridzinum

    12. Nsc 2833

    13. Phloretin-2'-o-beta-glucoside

    14. Ai3-19835

    15. Phloridzin Dihydrate

    16. Phloretin-2'-beta-glucoside

    17. Chebi:8113

    18. Chembl245067

    19. 7061-54-3

    20. Phloretin-2'-o-.beta.-glucoside

    21. Cu9s17279x

    22. Nsc-2833

    23. 2'-(beta-d-glucopyranosyloxy)-4',6'-dihydroxy-3-(4-hydroxyphenyl)propiophenone

    24. 1-[2-(beta-d-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone

    25. 1-propanone, 1-(2-(beta-d-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-

    26. 1-(2,4-dihydroxy-6-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)phenyl)-3-(4-hydroxyphenyl)propan-1-one

    27. 1-(2,4-dihydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one

    28. Phloretin 2'-o-glucoside

    29. 1-propanone, 1-[2-(beta-d-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-

    30. 2'-(.beta.-d-glucopyranosyloxy)-4',6'-dihydroxy-3-(4-hydroxyphenyl)propiophenone

    31. Sr-01000781913

    32. Einecs 200-487-1

    33. Lopin

    34. Unii-cu9s17279x

    35. 1-propanone, 1-[2-(.beta.-d-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-

    36. O-glucoside, 1

    37. 1-propanone, 1-(2-(.beta.-d-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-

    38. Phlorizin (phloridzin)

    39. Spectrum_001291

    40. Phloridzin [mi]

    41. Specplus_000325

    42. Spectrum2_000701

    43. Spectrum3_001227

    44. Spectrum4_001651

    45. Spectrum5_000521

    46. Phloridzin [inci]

    47. Phloretin-2'-o-glucoside

    48. Phloridzinum [hpus]

    49. Phloridzin [who-dd]

    50. Schembl17290

    51. Bspbio_002674

    52. Kbiogr_002141

    53. Kbioss_001771

    54. Spectrum300547

    55. Jmc511145 Compound 1

    56. Divk1c_006421

    57. Spbio_000881

    58. Gtpl4757

    59. Dtxsid3075339

    60. Bdbm20875

    61. Kbio1_001365

    62. Kbio2_001771

    63. Kbio2_004339

    64. Kbio2_006907

    65. Kbio3_002174

    66. Hms2090p10

    67. Phloretin 2'-ss-d-glucopyranoside

    68. Act03316

    69. Hy-n0143

    70. Zinc3875408

    71. Ccg-38341

    72. S2343

    73. 3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl Beta-d-glucopyranoside

    74. 4,6-dihydroxy-2-(beta-d-glucosido)-beta-(p-hydroxyphenyl)propiophenone

    75. Akos015920054

    76. Ac-7976

    77. Cs-2013

    78. Sdccgmls-0066626.p001

    79. 1-propanone,1-[2-(b-d-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-

    80. Ncgc00142423-01

    81. Ncgc00142423-02

    82. Ncgc00142423-06

    83. 1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one

    84. 1-[2,4-dihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one

    85. 1-{6-[(2s,4s,5s,3r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)(2h-3,4,5,6-tetrahydr Opyran-2-yloxy)]-2,4-dihydroxyphenyl}-3-(4-hydroxyphenyl)propan-1-one

    86. As-15724

    87. N1876

    88. P0248

    89. C01604

    90. 006p591

    91. A836937

    92. A868885

    93. Q413105

    94. Q-100699

    95. Sr-01000781913-2

    96. Sr-01000781913-4

    97. Sr-01000781913-5

    98. Brd-k73756878-001-02-9

    99. 1-[2-(.beta.-d-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone

    100. 1-[2-(?-d-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone

    101. 1-[2-(ss-d-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone

    102. 1-(2,4-dihydroxy-6-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)phenyl)-3-(4-hydroxyphenyl)propan-1-one

    103. 1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one Dihydrate;phlorizin Dihydrate

    104. 112318-65-7

    2.4 Create Date
    2005-06-08
    3 Chemical and Physical Properties
    Molecular Weight 436.4 g/mol
    Molecular Formula C21H24O10
    XLogP31.2
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count7
    Exact Mass436.13694696 g/mol
    Monoisotopic Mass436.13694696 g/mol
    Topological Polar Surface Area177 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity581
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1