|
Menu

COCONUT Compound

Koenimbine

CNP0248850.0 · C19H19NO2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameKoenimbine
IUPAC Name8-methoxy-3,3,5-trimethyl-11~{H}-pyrano[3,2-a]carbazole
COCONUT IDCNP0248850.0
CAS21087-98-9
InChIKeyOSERHKINMDLESD-UHFFFAOYSA-N
InChIInChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3
SMILESCOC1=CC=C2NC3=C4C=CC(C)(C)OC4=C(C)C=C3C2=C1

Properties

Molecular FormulaC19H19NO2
Molecular Weight293.37
Exact Mass293.14158
Log P (ALogP)4.82
TPSA34.25
H-Bond Donors / Acceptors1 / 2
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.70
NP-likeness1.69

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 (7)

  1. 10.1016/0031-9422(92)83651-E
  2. 10.1016/J.BMC.2013.01.012
  3. 10.1016/J.FITOTE.2009.08.016
  4. 10.1016/S0040-4020(01)92976-X
  5. 10.1016/j.bmc.2013.01.012
  6. 10.1021/JF034700+
  7. 10.1021/acs.jnatprod.5b00883

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.