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COCONUT Compound

Isokaempferide

CNP0302990.0 · C16H12O6 · View on COCONUT ↗

2D Structure

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Identifiers

NameIsokaempferide
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-chromen-4-one
COCONUT IDCNP0302990.0
CAS1592-70-7
InChIKeyVJJZJBUCDWKPLC-UHFFFAOYSA-N
InChIInChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
SMILESCOC1=C(C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C2C1=O

Properties

Molecular FormulaC16H12O6
Molecular Weight300.27
Exact Mass300.06339
Log P (ALogP)2.59
TPSA100.13
H-Bond Donors / Acceptors3 / 6
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.67
NP-likeness1.45

Classification

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

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua; Artemisia annua L.” in COCONUT
Zingiber zerumbet as “Zingiber zerumbet” in COCONUT
Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (158)

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  2. 10.1002/HLCA.19920750122
  3. 10.1002/HLCA.200590206
  4. 10.1002/J.1537-2197.1983.TB12458.X
  5. 10.1002/JLAC.198519851215
  6. 10.1002/PTR.1139
  7. 10.1002/PTR.3187
  8. 10.1007/BF00568241
  9. 10.1007/BF00569015
  10. 10.1007/BF00595086
  11. 10.1007/BF02980078
  12. 10.1007/S10600-011-9821-8
  13. 10.1007/S10600-011-9844-1
  14. 10.1007/S10600-019-02792-7
  15. 10.1016/0031-9422(73)80563-1
  16. 10.1016/0031-9422(80)83210-9
  17. 10.1016/0031-9422(81)85163-1
  18. 10.1016/0031-9422(82)80045-9
  19. 10.1016/0031-9422(82)80105-2
  20. 10.1016/0031-9422(86)88034-7
  21. 10.1016/0031-9422(88)87035-3
  22. 10.1016/0031-9422(89)85071-X
  23. 10.1016/0031-9422(90)85309-4
  24. 10.1016/0031-9422(90)85423-D
  25. 10.1016/0031-9422(91)83034-I
  26. 10.1016/0031-9422(91)83058-S
  27. 10.1016/0031-9422(91)83067-U
  28. 10.1016/0031-9422(91)83195-Q
  29. 10.1016/0031-9422(91)85119-K
  30. 10.1016/0031-9422(93)00074-P
  31. 10.1016/0031-9422(94)00591-G
  32. 10.1016/0031-9422(96)00041-6
  33. 10.1016/0305-1978(78)90036-4
  34. 10.1016/0305-1978(88)90007-5
  35. 10.1016/0305-1978(90)90049-L
  36. 10.1016/0305-1978(91)90098-K
  37. 10.1016/0305-1978(91)90099-L
  38. 10.1016/0305-1978(91)90113-E
  39. 10.1016/0305-1978(92)90015-6
  40. 10.1016/0305-1978(92)90038-F

Showing 40 of 158. 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.