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    Puerarin

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 3681-99-0, Kakonein, Daidzein-8-c-glucoside, 7-hydroxy-3-(4-hydroxyphenyl)-8-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)-4h-chromen-4-one, Puerarin 80 mm, Chebi:8633
    Molecular Formula
    C21H20O9
    Molecular Weight
    416.4  g/mol
    InChI Key
    HKEAFJYKMMKDOR-VPRICQMDSA-N
    FDA UNII
    Z9W8997416
    puerarin is a natural product found in Neustanthus phaseoloides, Clematis hexapetala, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    2.1.2 InChI
    InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
    2.1.3 InChI Key
    HKEAFJYKMMKDOR-VPRICQMDSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    Z9W8997416
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 7,4'-dihydroxyisoflavone-8beta-glucopyranoside

    2. Kakonein

    2.3.2 Depositor-Supplied Synonyms

    1. 3681-99-0

    2. Kakonein

    3. Daidzein-8-c-glucoside

    4. 7-hydroxy-3-(4-hydroxyphenyl)-8-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)-4h-chromen-4-one

    5. Puerarin 80 Mm

    6. Chebi:8633

    7. Npi 031g

    8. Daidzein 8-c-glucoside

    9. Nsc-380711

    10. 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

    11. Z9w8997416

    12. Puerarin, Analytical Standard

    13. Mfcd00063399

    14. Ac1nqz4n

    15. 8-c-glucoside

    16. 8-glucosyldaidzein

    17. Unii-z9w8997416

    18. Kudzu Root Extract

    19. Nsc 380711

    20. 7,4'-dihydroxy-8-c-glucosylisoflavone

    21. Brn 0064198

    22. 8-glucopyranosyldaidzein

    23. Puerarin [inci]

    24. Puerarin [who-dd]

    25. Surecn8581666

    26. 4-19-00-03200 (beilstein Handbook Reference)

    27. Mls002473178

    28. Bidd:er0101

    29. Chembl486386

    30. Schembl8581666

    31. Hkeafjykmmkdor-vpricqmdsa-

    32. Dtxsid30958020

    33. Hms2198m10

    34. Puerarin, >=98.0% (hplc)

    35. Hy-n0145

    36. Zinc4098745

    37. Bdbm50129558

    38. 8-beta-d-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-4h-1-benzopyran-4-one

    39. Akos007930376

    40. Akos015965556

    41. Cs-6158

    42. Db12290

    43. Ks-5191

    44. 4h-1-benzopyran-4-one, 8-beta-d-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-

    45. 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one

    46. Ac-20294

    47. Smr001397270

    48. N1114

    49. 4',7-dihydroxy-8-c-glucosylisoflavone

    50. Q63408673

    51. (1s)-1,5-anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4h-chromen-8-yl]-d-glucitol

    52. 4h-1-benzopyran-4-one, 8-.beta.-d-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-

    53. 8-(-bet.-d-glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4h-1-benzopyran-4-one

    54. 8-(beta-d-glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4h-1-benzopyran-4-one

    55. (1s)-1,5-anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4h-1-benzopyran-8-yl]-d-glucitol

    56. 7-hydroxy-3-(4-hydroxyphenyl)-8-[(3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 416.4 g/mol
    Molecular Formula C21H20O9
    XLogP30
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count3
    Exact Mass416.11073221 g/mol
    Monoisotopic Mass416.11073221 g/mol
    Topological Polar Surface Area157 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity659
    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

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)