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COCONUT Compound

Kumatakenin

CNP0317021.0 · C17H14O6 · View on COCONUT ↗

2D Structure

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Identifiers

NameKumatakenin
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-chromen-4-one
COCONUT IDCNP0317021.0
CAS3301-49-3
InChIKeyBJBUTJQYZDYRMJ-UHFFFAOYSA-N
InChIInChI=1S/C17H14O6/c1-21-11-7-12(19)14-13(8-11)23-16(17(22-2)15(14)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3
SMILESCOC1=CC(O)=C2C(=O)C(OC)=C(C3=CC=C(O)C=C3)OC2=C1

Properties

Molecular FormulaC17H14O6
Molecular Weight314.29
Exact Mass314.07904
Log P (ALogP)2.89
TPSA89.13
H-Bond Donors / Acceptors2 / 6
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.77
NP-likeness1.23

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavonols
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassO-methylated flavonoids

Reported in GR-MAPs Plants

Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (86)

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  2. 10.1002/PTR.2650050407
  3. 10.1007/S10600-011-9821-8
  4. 10.1016/0031-9422(73)85044-7
  5. 10.1016/0031-9422(76)85130-8
  6. 10.1016/0031-9422(80)85088-6
  7. 10.1016/0031-9422(88)83128-5
  8. 10.1016/0031-9422(91)84215-E
  9. 10.1016/0031-9422(93)00074-P
  10. 10.1016/0305-1978(93)90082-3
  11. 10.1016/0305-1978(95)00017-O
  12. 10.1016/J.BMCL.2009.12.106
  13. 10.1016/J.FITOTE.2004.04.014
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  15. 10.1016/J.FOODCHEM.2019.125629
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  19. 10.1016/S0021-9673(01)88918-4
  20. 10.1016/S0031-9422(00)80359-3
  21. 10.1016/S0031-9422(00)81324-2
  22. 10.1016/S0031-9422(00)81506-X
  23. 10.1016/S0031-9422(00)83176-3
  24. 10.1016/S0031-9422(00)83763-2
  25. 10.1016/S0031-9422(00)83940-0
  26. 10.1016/S0031-9422(00)84889-X
  27. 10.1016/S0031-9422(00)86519-X
  28. 10.1016/S0031-9422(00)88812-3
  29. 10.1016/S0031-9422(00)94395-4
  30. 10.1016/S0031-9422(00)97976-7
  31. 10.1016/S0031-9422(00)98542-X
  32. 10.1016/S0031-9422(01)00415-0
  33. 10.1016/S0031-9422(02)00666-0
  34. 10.1016/S0031-9422(96)00774-1
  35. 10.1016/S0031-9422(97)00146-5
  36. 10.1016/S0031-9422(97)00312-9
  37. 10.1016/S0031-9422(97)00514-1
  38. 10.1016/S0031-9422(97)00980-1
  39. 10.1016/S0031-9422(98)00622-0
  40. 10.1016/S0040-4039(00)93123-X

Showing 40 of 86. 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.