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COCONUT Compound

Euphococcinine

CNP0248477.1 · C9H15NO · View on COCONUT ↗

2D Structure

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Identifiers

NameEuphococcinine
IUPAC Name(1~{S},5~{R})-1-methyl-9-azabicyclo[3.3.1]nonan-3-one
COCONUT IDCNP0248477.1
CAS15486-23-4
InChIKeyBWXDELRNNYLLKB-APPZFPTMSA-N
InChIInChI=1S/C9H15NO/c1-9-4-2-3-7(10-9)5-8(11)6-9/h7,10H,2-6H2,1H3/t7-,9+/m1/s1
SMILESC[C@]12CCC[C@H](CC(=O)C1)N2

Properties

Molecular FormulaC9H15NO
Molecular Weight153.22
Exact Mass153.11536
Log P (ALogP)1.25
TPSA29.10
H-Bond Donors / Acceptors1 / 2
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.57
NP-likeness1.90

Classification

NP PathwayAlkaloids
NP SuperclassLysine alkaloids
NP Class
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassPiperidines
Chemical SubclassPiperidinones

Reported in GR-MAPs Plants

Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT

References (9)

  1. 10.1002/(SICI)1099-1565(199911/12)10:6<322::AID-PCA468>3.0.CO;2-W
  2. 10.1007/BF01952471
  3. 10.1016/0031-9422(95)00147-Y
  4. 10.1016/0031-9422(95)00213-Q
  5. 10.1016/0040-4020(93)80019-P
  6. 10.1016/S0031-9422(00)90645-9
  7. 10.1016/s0031-9422(00)90645-9
  8. 10.1021/JO00070A014
  9. 10.1071/CH9821255

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.