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COCONUT Compound

Girinimbine

CNP0235397.0 · C18H17NO · View on COCONUT ↗

2D Structure

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Identifiers

NameGirinimbine
IUPAC Name3,3,5-trimethyl-11~{H}-pyrano[3,2-a]carbazole
COCONUT IDCNP0235397.0
CAS23095-44-5
InChIKeyGAEQWKVGMHUUKO-UHFFFAOYSA-N
InChIInChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,19H,1-3H3
SMILESCC1=CC2=C(NC3=CC=CC=C32)C2=C1OC(C)(C)C=C2

Properties

Molecular FormulaC18H17NO
Molecular Weight263.34
Exact Mass263.13101
Log P (ALogP)4.81
TPSA25.02
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.62
NP-likeness1.89

Classification

NP PathwayAlkaloids
NP SuperclassTryptophan alkaloids
NP ClassCarbazole alkaloids
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassIndoles and derivatives
Chemical SubclassCarbazoles

Reported in GR-MAPs Plants

Murraya koenigii as “Murraya Koenigii” in COCONUT

References (28)

  1. 10.1016/0031-9422(91)85313-O
  2. 10.1016/0031-9422(91)85314-P
  3. 10.1016/0031-9422(92)80087-U
  4. 10.1016/0031-9422(92)80233-5
  5. 10.1016/0031-9422(92)83651-E
  6. 10.1016/0031-9422(95)00447-F
  7. 10.1016/0031-9422(95)00794-6
  8. 10.1016/0031-9422(96)00361-5
  9. 10.1016/0305-1978(86)90008-6
  10. 10.1016/0378-8741(86)90155-8
  11. 10.1016/J.EJMECH.2011.10.047
  12. 10.1016/J.PHYTOCHEM.2005.05.001
  13. 10.1016/S0031-9422(00)90494-1
  14. 10.1016/S0031-9422(00)97778-1
  15. 10.1016/S0031-9422(99)00220-4
  16. 10.1016/S0040-4020(01)92976-X
  17. 10.1016/j.ejmech.2011.10.047
  18. 10.1021/NP100654M
  19. 10.1021/NP50070A025
  20. 10.1021/np100654m
  21. 10.1021/np3000365
  22. 10.1248/CPB.33.4132
  23. 10.1248/CPB.36.2377
  24. 10.1248/CPB.39.1668
  25. 10.1248/CPB.40.230
  26. 10.1248/CPB.41.2096
  27. 10.2147/dddt.s115135
  28. 10.3987/R-1985-06-1391

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.