Isovitexin

Synopsis, 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 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 Formula	C₂₁H₂₀O₁₀
Molecular Weight	432.4 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	432.10564683 g/mol
Monoisotopic Mass	432.10564683 g/mol
Topological Polar Surface Area	177 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	690
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1