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    Vitexin

    REF. STANDARDS & IMPURITIES

    PharmaCompass
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    2D Structure
    Also known as: 3681-93-4, Apigenin 8-c-glucoside, Vitxein, 8-beta-d-glucopyranosyl-apigenin, 9vp70k75ok, 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    Molecular Formula
    C21H20O10
    Molecular Weight
    432.4  g/mol
    InChI Key
    SGEWCQFRYRRZDC-VPRICQMDSA-N
    FDA UNII
    9VP70K75OK
    vitexin is a natural product found in Itea omeiensis, Itea chinensis, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,7-dihydroxy-2-(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/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1
    2.1.3 InChI Key
    SGEWCQFRYRRZDC-VPRICQMDSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)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
    9VP70K75OK
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 8-glycosyl-apigenin

    2. 8-glycosylapigenin

    3. Apigenin 8-c-glucoside

    2.3.2 Depositor-Supplied Synonyms

    1. 3681-93-4

    2. Apigenin 8-c-glucoside

    3. Vitxein

    4. 8-beta-d-glucopyranosyl-apigenin

    5. 9vp70k75ok

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

    7. Chebi:16954

    8. Mfcd00017456

    9. 4h-1-benzopyran-4-one, 5,7-dihydroxy-8-beta-d-glucopyranosyl-2-(4-hydroxyphenyl)-

    10. Flavone, 8-d-glucosyl-4',5,7-trihydroxy-

    11. (1s)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-8-yl]-d-glucitol

    12. 4h-1-benzopyran-4-one, 8-.beta.-d-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-

    13. 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)-4h-chromen-4-one

    14. 8-beta-d-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one

    15. Einecs 222-963-8

    16. Unii-9vp70k75ok

    17. Vitexin,(s)

    18. Orientoside

    19. Vitexina

    20. Vitexine

    21. Vitexin [inci]

    22. Vitexin [usp-rs]

    23. Vitexin [who-dd]

    24. Vitexin, Analytical Standard

    25. Schembl25277

    26. Chembl487417

    27. Dtxsid90190287

    28. Apigenin 8-c-.beta.-d-glucoside

    29. Act02625

    30. Hy-n0013

    31. Zinc4245684

    32. Bdbm50362886

    33. S9192

    34. Akos025311479

    35. Ac-6086

    36. Ccg-208516

    37. 4h-1-benzopyran-4-one, 8-beta-d-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-

    38. Ncgc00163642-01

    39. Vitexin 100 Microg/ml In Acetone:water

    40. 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one

    41. As-55909

    42. (hydroxymethyl)tetrahydro-2h-pyran-2-yl)-

    43. Cs-0007090

    44. N1319

    45. Apigenin-8-c-.beta.-d-glucopyranoside

    46. C01460

    47. 681v934

    48. Q259075

    49. Vitexin, Primary Pharmaceutical Reference Standard

    50. Q-100437

    51. 8-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-

    52. 5,7,4'-trihydroxyflavone 8-c-.beta.-d-glucopyranoside

    53. Vitexin, United States Pharmacopeia (usp) Reference Standard

    54. Flavone, 8-.beta.-d-glucopyranosyl-4',5,7-trihydroxy-

    55. Vitexin (constituent Of Hawthorn Leaf With Flower) [dsc]

    56. 4h-1-benzopyran-4-one, 5,7-dihydroxy-8-.beta.-d-glucopyranosyl-2-(4-hydroxyphenyl)-

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 432.4 g/mol
    Molecular Formula C21H20O10
    XLogP30.2
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count3
    Exact Mass432.10564683 g/mol
    Monoisotopic Mass432.10564683 g/mol
    Topological Polar Surface Area177 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity690
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1