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Chemistry

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Also known as: 38953-85-4, Saponaretin, 29702-25-8, Homovitexin, 6-glucosylapigenin, Apigenin-6-c-glucoside
Molecular Formula
C21H20O10
Molecular Weight
432.4  g/mol
InChI Key
MYXNWGACZJSMBT-VJXVFPJBSA-N
FDA UNII
KTQ9R9MS0Q

Isovitexin
isovitexin is a natural product found in Carex fraseriana, Rauhiella, and other organisms with data available.
1 2D Structure

Isovitexin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(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(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1
2.1.3 InChI Key
MYXNWGACZJSMBT-VJXVFPJBSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O
2.1.5 Isomeric SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[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
KTQ9R9MS0Q
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 6-glucosyl-apigenin

2. 6-glucosylapigenin

3. Apigenin 6-c-glucoside

2.3.2 Depositor-Supplied Synonyms

1. 38953-85-4

2. Saponaretin

3. 29702-25-8

4. Homovitexin

5. 6-glucosylapigenin

6. Apigenin-6-c-glucoside

7. Isoavroside

8. 6-c-glucosylapigenin

9. Avroside

10. Apigenin 6-c-glucoside

11. Isovitexin With

12. Chebi:18330

13. Ktq9r9ms0q

14. 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

15. 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)-4h-chromen-4-one

16. 4h-1-benzopyran-4-one, 6-beta-d-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-

17. (1s)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-6-yl]-d-glucitol

18. 4h-1-benzopyran-4-one, 6-.beta.-d-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-

19. Smr001215816

20. Unii-ktq9r9ms0q

21. Ccris 9341

22. Beta-d-isovitexin

23. Apigenin 6-c-beta-glucopyranoside

24. Isovitexin With Hplc

25. Saponaretin; Homovitexin

26. C01714

27. Isovitexin [who-dd]

28. Mls000563041

29. Mls002473147

30. Schembl513620

31. Isovitexin, Analytical Standard

32. Chembl465360

33. Flavone, 6-beta-d-glucopyranosyl-4',5,7-trihydroxy-

34. Dtxsid60952152

35. 6-c-beta-d-glucopyranosylapigenin

36. Hms2268o04

37. Hms3886d14

38. Hy-n0773

39. Isovitexin, >=98.0% (hplc)

40. Zinc4095704

41. Bdbm50486938

42. Mfcd00076044

43. S9035

44. Akos032948364

45. Ccg-208397

46. 6-beta-d-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one

47. Ncgc00163578-01

48. Ac-34970

49. As-56231

50. 6-c-.beta.-d-glucopyranosylapigenin

51. Cs-0009796

52. Isovitexin 100 Microg/ml In Acetonitrile:methanol

53. Isovitexin, Primary Pharmaceutical Reference Standard

54. Q3155636

55. Flavone, 6-.beta.-d-glucopyranosyl-4',5,7-trihydroxy-

56. Ethyl6-amino-5-cyano-2-methyl-4-phenyl-4h-pyran-3-carboxylate

57. Isovitexin (constituent Of Hawthorn Leaf With Flower) [dsc]

58. 4h-1-benzopyran-4-one, 6-beta-d-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)- (van)

59. 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one

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

REF. STANDARDS & IMPURITIES

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