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COCONUT Compound

Mukonal

CNP0256026.0 · C13H9NO2 · View on COCONUT ↗

2D Structure

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Identifiers

NameMukonal
IUPAC Name2-hydroxy-9~{H}-carbazole-3-carbaldehyde
COCONUT IDCNP0256026.0
CAS20323-67-5
InChIKeyNEAHWGSQUXSRNW-UHFFFAOYSA-N
InChIInChI=1S/C13H9NO2/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13(8)16/h1-7,14,16H
SMILESO=CC1=CC2=C(C=C1O)NC1=CC=CC=C12

Properties

Molecular FormulaC13H9NO2
Molecular Weight211.22
Exact Mass211.06333
Log P (ALogP)2.84
TPSA53.09
H-Bond Donors / Acceptors2 / 2
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.61
NP-likeness0.84

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 (12)

  1. 10.1007/S12272-010-0505-X
  2. 10.1016/0031-9422(96)00212-9
  3. 10.1016/J.EJMECH.2011.10.047
  4. 10.1016/S0031-9422(00)80360-X
  5. 10.1016/S0031-9422(00)80575-0
  6. 10.1016/S0031-9422(99)00220-4
  7. 10.1016/j.ejmech.2011.10.047
  8. 10.1021/NP50070A025
  9. 10.1021/NP800735M
  10. 10.1021/np3000365
  11. 10.1055/S-2003-37716
  12. 10.1248/CPB.56.827

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.