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    Daidzin

    REF. STANDARDS & IMPURITIES

    ANALYTICAL

    PharmaCompass
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    2D Structure
    Also known as: 552-66-9, Daidzoside, Daidzein 7-o-glucoside, Daidzein 7-glucoside, Daidzein-7-o-glucoside, Daidzein 7-o-beta-d-glucoside
    Molecular Formula
    C21H20O9
    Molecular Weight
    416.4  g/mol
    InChI Key
    KYQZWONCHDNPDP-QNDFHXLGSA-N
    FDA UNII
    4R2X91A5M5
    daidzin is a natural product found in Thermopsis lanceolata, Thermopsis macrophylla, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    2.1.2 InChI
    InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
    2.1.3 InChI Key
    KYQZWONCHDNPDP-QNDFHXLGSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    4R2X91A5M5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 7-o-glucosyl-4'-hydroxyisoflavone

    2.3.2 Depositor-Supplied Synonyms

    1. 552-66-9

    2. Daidzoside

    3. Daidzein 7-o-glucoside

    4. Daidzein 7-glucoside

    5. Daidzein-7-o-glucoside

    6. Daidzein 7-o-beta-d-glucoside

    7. 7-(beta-d-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4h-1-benzopyran-4-one

    8. 3-(4-hydroxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

    9. Chebi:42202

    10. 4r2x91a5m5

    11. Daidzein-7-glucoside

    12. 3-(4-hydroxyphenyl)-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one

    13. Dzn

    14. 3-(4-hydroxyphenyl)-4-oxo-4h-chromen-7-yl Beta-d-glucopyranoside

    15. Brn 0059741

    16. Dadzin

    17. Unii-4r2x91a5m5

    18. Npi 031d

    19. 2vle

    20. Mfcd00017466

    21. Daidzin [usp-rs]

    22. 7-o-beta-d-glucopyranoside

    23. Daidzin, Analytical Standard

    24. 4-18-00-01808 (beilstein Handbook Reference)

    25. Mls006010640

    26. Bidd:er0154

    27. Daidzein Daidzin [mi]

    28. Schembl315373

    29. Chembl486422

    30. Megxp0_000530

    31. Npi-031d

    32. Acon1_002092

    33. Dtxsid00862180

    34. Daidzin, >=95.0% (hplc)

    35. 3-(4-hydroxyphenyl)-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one

    36. Daidzein 7-o-

    37. A-d-glucopyranoside

    38. Hy-n0018

    39. Zinc4098610

    40. Daidzein 7-o-beta-d-glucopyranoside

    41. 7-(beta-d-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4h-chromen-4-one

    42. Bdbm50409029

    43. Stl565871

    44. 7,4'-dihydroxyisoflavone 7-glucoside

    45. Ccg-208383

    46. Cs-4237

    47. Db02115

    48. Daidzein 7-o-.beta.-d-glucoside

    49. Ncgc00163532-02

    50. Ncgc00163532-03

    51. Ncgc00179839-01

    52. As-35078

    53. Smr001833087

    54. N1807

    55. 4',7-dihydroxyisoflavone 7-o-b-d-glucopyranoside

    56. 552d669

    57. A830561

    58. Daidzin (constituent Of Astragalus) [dsc]

    59. Daidzin, Primary Pharmaceutical Reference Standard

    60. Q-100628

    61. Q3814656

    62. Daidzin (constituent Of Soy Isoflavones) [dsc]

    63. 4',7-dihydroxyisoflavone; 7-o-b-d-glucopyranoside

    64. Daidzin, United States Pharmacopeia (usp) Reference Standard

    65. 3-(4-hydroxyphenyl)-7-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-4h-chromen-4-one

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 416.4 g/mol
    Molecular Formula C21H20O9
    XLogP30.7
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count4
    Exact Mass416.11073221 g/mol
    Monoisotopic Mass416.11073221 g/mol
    Topological Polar Surface Area146 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity644
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    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

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    Alcohol Deterrents

    Substances interfering with the metabolism of ethyl alcohol, causing unpleasant side effects thought to discourage the drinking of alcoholic beverages. Alcohol deterrents are used in the treatment of alcoholism. (See all compounds classified as Alcohol Deterrents.)