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COCONUT Compound

Canthin-6-one

CNP0360832.0 · C14H8N2O · View on COCONUT ↗

2D Structure

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Identifiers

NameCanthin-6-one
IUPAC Name1,6-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
COCONUT IDCNP0360832.0
CAS479-43-6
InChIKeyZERVJPYNQLONEK-UHFFFAOYSA-N
InChIInChI=1S/C14H8N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-8H
SMILESO=C1C=CC2=C3C(=CC=N2)C2=CC=CC=C2N13

Properties

Molecular FormulaC14H8N2O
Molecular Weight220.23
Exact Mass220.06366
Log P (ALogP)2.44
TPSA34.37
H-Bond Donors / Acceptors0 / 3
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.46
NP-likeness0.20

Classification

NP PathwayAlkaloids
NP SuperclassTryptophan alkaloids
NP ClassCarboline alkaloids
Chemical SuperclassAlkaloids and derivatives
Chemical ClassIndolonaphthyridine alkaloids
Chemical SubclassIndolonaphthyridine alkaloids

Reported in GR-MAPs Plants

Vitex negundo as “Vitex negundo” in COCONUT

References (68)

  1. 10.1002/EJOC.200400519
  2. 10.1002/JCCS.199300063
  3. 10.1002/JCCS.200700112
  4. 10.1002/PTR.1642
  5. 10.1002/PTR.2136
  6. 10.1002/PTR.2650010105
  7. 10.1002/ejoc.200400519
  8. 10.1002/ptr.849
  9. 10.1007/BF00269327
  10. 10.1007/BF00630321
  11. 10.1007/S10600-007-0091-4
  12. 10.1007/S10600-018-2544-3
  13. 10.1016/0031-9422(73)80486-8
  14. 10.1016/0031-9422(75)83129-3
  15. 10.1016/0031-9422(90)89027-7
  16. 10.1016/0031-9422(94)85071-2
  17. 10.1016/0031-9422(94)85104-2
  18. 10.1016/0305-1978(91)90117-I
  19. 10.1016/J.JEP.2011.01.009
  20. 10.1016/S0031-9422(00)00363-0
  21. 10.1016/S0031-9422(00)82492-9
  22. 10.1016/S0031-9422(00)84478-7
  23. 10.1016/S0031-9422(00)89758-7
  24. 10.1016/S0031-9422(00)90609-5
  25. 10.1016/S0031-9422(00)91132-4
  26. 10.1016/S0031-9422(00)97418-1
  27. 10.1016/S0031-9422(00)97419-3
  28. 10.1016/S0031-9422(97)01130-8
  29. 10.1016/j.ejphar.2013.02.008
  30. 10.1016/s0031-9422(00)84478-7
  31. 10.1017/S174275840001345X
  32. 10.1021/NP030277N
  33. 10.1021/NP50027A014
  34. 10.1021/NP50034A040
  35. 10.1021/NP50045A007
  36. 10.1021/NP50047A009
  37. 10.1021/NP50047A037
  38. 10.1021/NP50048A007
  39. 10.1021/NP970406Y
  40. 10.1021/NP980471N

Showing 40 of 68. 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.