Also known as: Wogonoside, 51059-44-0, Wogonin 7-o-glucuronide, Glychionide b, Chebi:61282, 5,7-dihydroxy-8-methoxyflavone 7-o-beta-d-glucuronide

Molecular Formula

C₂₂H₂₀O₁₁

Molecular Weight

460.4 g/mol

InChI Key

LNOHXHDWGCMVCO-NTKSAMNMSA-N

FDA UNII

ETX4944Z3R

oroxindin is a natural product found in Scutellaria discolor, Scutellaria indica, and other organisms with data available.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid

2.1.2 InChI

InChI=1S/C22H20O11/c1-30-18-13(32-22-17(27)15(25)16(26)20(33-22)21(28)29)8-11(24)14-10(23)7-12(31-19(14)18)9-5-3-2-4-6-9/h2-8,15-17,20,22,24-27H,1H3,(H,28,29)/t15-,16-,17+,20-,22+/m0/s1

2.1.3 InChI Key

LNOHXHDWGCMVCO-NTKSAMNMSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)OC4C(C(C(C(O4)C(=O)O)O)O)O

2.1.5 Isomeric SMILES

COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

2.2 Other Identifiers

2.2.1 UNII

ETX4944Z3R

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Wogonoside

2. 51059-44-0

3. Wogonin 7-o-glucuronide

4. Glychionide B

5. Chebi:61282

6. 5,7-dihydroxy-8-methoxyflavone 7-o-beta-d-glucuronide

7. Chembl464732

8. Etx4944z3r

9. (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic Acid

10. Wogonin 7-o-beta-d-glucuronide

11. 5-hydroxy-8-methoxy-4-oxo-2-phenyl-4h-chromen-7-yl Beta-d-glucopyranosiduronic Acid

12. Unii-etx4944z3r

13. Mfcd08704808

14. Wogonin 7-o-beta-glucuronine Methyl Ester

15. Megxp0_000537

16. Acon1_000851

17. Dtxsid80199062

18. Hy-n0399

19. Bdbm50478452

20. S9115

21. Zinc28537647

22. Akos015897144

23. Ccg-269333

24. Wogonoside, >=95% (lc/ms-elsd)

25. Wogonin 7-.beta.-d-glucuronide

26. Ncgc00169296-01

27. Wogonin 7-o-.beta.-d-glucuronide

28. Cs-0008934

29. W0012

30. Wogonin 7-o-.beta.-d-glucuronopyranoside

31. A854472

32. Q3356626

33. W-202920

34. Brd-k72010518-001-01-0

35. (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-((5-hydroxy-8-methoxy-4-oxo-2-phenyl-4h-chromen-7-yl)oxy)tetrahydro-2h-pyran-2-carboxylic Acid

36. .beta.-d-glucopyranosiduronic Acid, 5-hydroxy-8-methoxy-4-oxo-2-phenyl-4h-1-benzopyran-7-yl

37. Ncgc00169296-02!(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic Acid

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₀O₁₁
Molecular Weight	460.4 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	460.10056145 g/mol
Monoisotopic Mass	460.10056145 g/mol
Topological Polar Surface Area	172 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	763
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

Wogonoside

Wogonoside

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