MolPort-001-742-489

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Also known as: 632-85-9, 5,7-dihydroxy-8-methoxyflavone, Vogonin, 4h-1-benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-, Norwogonin 8-methyl ether, 5,7-dihydroxy-8-methoxy-2-phenyl-4h-chromen-4-one

Molecular Formula

C₁₆H₁₂O₅

Molecular Weight

284.26 g/mol

InChI Key

XLTFNNCXVBYBSX-UHFFFAOYSA-N

FDA UNII

POK93PO28W

wogonin is a natural product found in Scutellaria likiangensis, Scutellaria amoena, and other organisms with data available.

1 2D Structure

MolPort-001-742-489

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one

2.1.2 InChI

InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3

2.1.3 InChI Key

XLTFNNCXVBYBSX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

POK93PO28W

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5,7-dihydroxy-8-methoxyflavone

2.3.2 Depositor-Supplied Synonyms

1. 632-85-9

2. 5,7-dihydroxy-8-methoxyflavone

3. Vogonin

4. 4h-1-benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-

5. Norwogonin 8-methyl Ether

6. 5,7-dihydroxy-8-methoxy-2-phenyl-4h-chromen-4-one

7. 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one

8. Flavone, 5,7-dihydroxy-8-methoxy-

9. Pok93po28w

10. Chembl16171

11. Chebi:10043

12. 5,7-dihydroxy-8-methoxy-2-phenyl-chromen-4-one

13. Unii-pok93po28w

14. Brn 0287152

15. Wagonin

16. Wogonin Hydrate

17. Wogonin,(s)

18. 5,7-dihydroxy-8-methoxy-2-phenyl-4h-1-benzopyran-4-one

19. St077088

20. Wogonin [inci]

21. Wogonin, S. Baicalensis

22. Mls002473006

23. Schembl139083

24. Dtxsid70212557

25. Hms2270g08

26. Zinc899093

27. Amy25744

28. Hy-n0400

29. Bdbm50140257

30. Lmpk12111330

31. Mfcd00017736

32. Nsc717845

33. S4743

34. Akos015917860

35. Zinc111327191

36. Ccg-208499

37. Cs-3959

38. Nsc-717845

39. Ncgc00247464-01

40. Ac-20338

41. Ac-32550

42. As-70103

43. Nci60_040649

44. Smr001397111

45. Db-054448

46. Ft-0603499

47. N1283

48. W0010

49. 632w859

50. Q409606

51. Sr-05000002216

52. Q-100730

53. Sr-05000002216-2

54. 5,7-dihydroxy-8-methoxy-2-phenyl-chromen-4-one(wogonin)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₂O₅
Molecular Weight	284.26 g/mol
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	284.06847348 g/mol
Monoisotopic Mass	284.06847348 g/mol
Topological Polar Surface Area	76 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	426
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

Wogonin has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560