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COCONUT Compound

Corytuberine

CNP0187393.1 · C19H21NO4 · View on COCONUT ↗

2D Structure

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Identifiers

NameCorytuberine
IUPAC Name(6~{a}~{S})-2,10-dimethoxy-6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-1,11-diol
COCONUT IDCNP0187393.1
CAS517-56-6
InChIKeyWHFUDAOCYRYAKQ-LBPRGKRZSA-N
InChIInChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1
SMILESCOC1=CC=C2C[C@H]3C4=C(C=C(OC)C(O)=C4C2=C1O)CCN3C

Properties

Molecular FormulaC19H21NO4
Molecular Weight327.38
Exact Mass327.14706
Log P (ALogP)2.87
TPSA62.16
H-Bond Donors / Acceptors2 / 5
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.89
NP-likeness1.45

Classification

NP PathwayAlkaloids
NP SuperclassTyrosine alkaloids
NP ClassAporphine alkaloids
Chemical SuperclassAlkaloids and derivatives
Chemical ClassAporphines
Chemical SubclassAporphines

Reported in GR-MAPs Plants

Papaver somniferum as “Papaver somniferum” in COCONUT
Tinospora cordifolia as “Tinospora cordifolia” in COCONUT

References (56)

  1. 10.1002/(SICI)1099-1565(199901/02)10:1<6::AID-PCA431>3.0.CO;2-0
  2. 10.1002/9780470744307.gat218
  3. 10.1002/JCCS.199200031
  4. 10.1002/JCCS.199900084
  5. 10.1002/biuz.19840140514
  6. 10.1002/food.19880321030
  7. 10.1007/BF00565526
  8. 10.1007/BF00575709
  9. 10.1007/BF00579509
  10. 10.1007/S12272-009-1111-7
  11. 10.1016/0031-9422(75)80388-8
  12. 10.1016/0031-9422(89)80062-7
  13. 10.1016/0031-9422(89)80403-0
  14. 10.1016/0031-9422(91)85144-O
  15. 10.1016/0031-9422(95)00280-K
  16. 10.1016/J.BMC.2006.10.034
  17. 10.1016/J.FITOTE.2007.03.003
  18. 10.1016/J.PHYTOCHEM.2004.03.017
  19. 10.1016/J.PHYTOCHEM.2006.07.011
  20. 10.1016/S0031-9422(00)81449-1
  21. 10.1016/S0367-326X(99)00045-3
  22. 10.1016/j.bmc.2006.10.034
  23. 10.1021/NP50037A038
  24. 10.1021/NP50062A009
  25. 10.1021/NP8001282
  26. 10.1039/CT8936300485
  27. 10.1055/S-2006-958107
  28. 10.1055/S-2006-961926
  29. 10.1073/pnas.0802981105
  30. 10.1074/JBC.M116.747261
  31. 10.1093/mutage/17.4.265
  32. 10.1135/CCCC19812587
  33. 10.1135/CCCC19840704
  34. 10.1135/CCCC19841318
  35. 10.1135/CCCC19851216
  36. 10.1135/CCCC19851745
  37. 10.1135/CCCC19861752
  38. 10.1135/CCCC19862232
  39. 10.1135/CCCC19870804
  40. 10.1135/CCCC19881845

Showing 40 of 56. 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.