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COCONUT Compound

6-methoxykaempferol

CNP0110749.0 · C16H12O7 · View on COCONUT ↗

2D Structure

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Identifiers

Name6-methoxykaempferol
IUPAC Name3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-methoxy-chromen-4-one
COCONUT IDCNP0110749.0
CAS32520-55-1
InChIKeyOGQSUSFDBWGFFJ-UHFFFAOYSA-N
InChIInChI=1S/C16H12O7/c1-22-16-9(18)6-10-11(13(16)20)12(19)14(21)15(23-10)7-2-4-8(17)5-3-7/h2-6,17-18,20-21H,1H3
SMILESCOC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(O)C(=O)C2=C1O

Properties

Molecular FormulaC16H12O7
Molecular Weight316.27
Exact Mass316.05830
Log P (ALogP)2.29
TPSA120.36
H-Bond Donors / Acceptors4 / 7
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.57
NP-likeness1.59

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavonols
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavones

Reported in GR-MAPs Plants

Tagetes erecta as “Tagetes erecta” in COCONUT
Matricaria chamomilla as “Matricaria Chamomilla” in COCONUT
Artemisia annua as “Artemisia annua” in COCONUT

References (44)

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  2. 10.1002/J.1537-2197.1987.TB12148.X
  3. 10.1007/978-94-007-7395-0_28
  4. 10.1016/0031-9422(88)80043-8
  5. 10.1016/0031-9422(88)83030-9
  6. 10.1016/0031-9422(88)87035-3
  7. 10.1016/0031-9422(90)83078-F
  8. 10.1016/0031-9422(90)85193-J
  9. 10.1016/0031-9422(92)80175-E
  10. 10.1016/0031-9422(93)00074-P
  11. 10.1016/0305-1978(88)90034-8
  12. 10.1016/0305-1978(90)90026-C
  13. 10.1016/0305-1978(94)90012-4
  14. 10.1016/0305-1978(95)00057-7
  15. 10.1016/J.PHYTOCHEM.2009.04.008
  16. 10.1016/S0031-9422(00)81324-2
  17. 10.1016/S0031-9422(00)83143-X
  18. 10.1016/S0031-9422(00)83767-X
  19. 10.1016/S0031-9422(00)84545-8
  20. 10.1016/S0031-9422(00)84740-8
  21. 10.1016/S0031-9422(00)89581-3
  22. 10.1016/S0031-9422(00)97572-1
  23. 10.1016/S0031-9422(99)00028-X
  24. 10.1016/S0304-3835(99)00160-3
  25. 10.1016/j.sajb.2013.11.012
  26. 10.1016/s0031-9422(00)83141-6
  27. 10.1021/NP50006A007
  28. 10.1021/NP50032A014
  29. 10.1021/NP50032A028
  30. 10.1021/NP50040A032
  31. 10.1021/NP50043A039
  32. 10.1021/NP50043A040
  33. 10.1021/NP50048A063
  34. 10.1021/NP50052A045
  35. 10.1021/NP960453A
  36. 10.1055/S-2006-957713
  37. 10.1055/S-2007-969233
  38. 10.1139/B95-209
  39. 10.1248/CPB.44.1748
  40. 10.1248/CPB.53.1111

Showing 40 of 44. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.