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COCONUT Compound

mukonidine

CNP0328616.0 · C14H11NO3 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Namemukonidine
IUPAC Namemethyl 2-hydroxy-9~{H}-carbazole-3-carboxylate
COCONUT IDCNP0328616.0
CAS24949-00-6
InChIKeySJVKEEPWQLIYIJ-UHFFFAOYSA-N
InChIInChI=1S/C14H11NO3/c1-18-14(17)10-6-9-8-4-2-3-5-11(8)15-12(9)7-13(10)16/h2-7,15-16H,1H3
SMILESCOC(=O)C1=CC2=C(C=C1O)NC1=CC=CC=C12

Properties

Molecular FormulaC14H11NO3
Molecular Weight241.25
Exact Mass241.07389
Log P (ALogP)2.81
TPSA62.32
H-Bond Donors / Acceptors2 / 3
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.64
NP-likeness0.35

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/J.EJMECH.2011.10.047
  2. 10.1016/S0031-9422(00)95013-1
  3. 10.1016/S0031-9422(99)00220-4
  4. 10.1016/j.ejmech.2011.10.047
  5. 10.1021/NP800735M
  6. 10.1021/np3000365
  7. 10.1080/10286020.2010.482524

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.