|
Menu

COCONUT Compound

Koenoline

CNP0259523.0 · C14H13NO2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameKoenoline
IUPAC Name(1-methoxy-9~{H}-carbazol-3-yl)methanol
COCONUT IDCNP0259523.0
CAS3909-78-2
InChIKeyKNKVHLASDDREQS-UHFFFAOYSA-N
InChIInChI=1S/C14H13NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-7,15-16H,8H2,1H3
SMILESCOC1=CC(CO)=CC2=C1NC1=CC=CC=C12

Properties

Molecular FormulaC14H13NO2
Molecular Weight227.26
Exact Mass227.09463
Log P (ALogP)2.82
TPSA45.25
H-Bond Donors / Acceptors2 / 2
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.71
NP-likeness0.63

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 (6)

  1. 10.1016/0031-9422(85)80052-2
  2. 10.1016/S0031-9422(00)80630-5
  3. 10.1021/NP000020E
  4. 10.1021/np000020e
  5. 10.1248/CPB.39.1668
  6. 10.1248/CPB.41.2096

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.