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COCONUT Compound

C23H25NO

CNP0255114.2 · C23H25NO · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameC23H25NO
IUPAC Name(3~{R})-3,5-dimethyl-3-(4-methylpent-3-enyl)-11~{H}-pyrano[3,2-a]carbazole
COCONUT IDCNP0255114.2
InChIKeyHTNVFUBCWIYPJN-HSZRJFAPSA-N
InChIInChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3/t23-/m1/s1
SMILESCC(C)=CCC[C@]1(C)C=CC2=C(O1)C(C)=CC1=C2NC2=CC=CC=C21

Properties

Molecular FormulaC23H25NO
Molecular Weight331.46
Exact Mass331.19361
Log P (ALogP)6.54
TPSA25.02
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds3
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.54
NP-likeness2.48

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 (10)

  1. 10.1002/PTR.3023
  2. 10.1016/0031-9422(91)85313-O
  3. 10.1016/J.PHYTOCHEM.2005.05.001
  4. 10.1016/S0040-4020(01)92976-X
  5. 10.1021/JF010621R
  6. 10.1021/JF9805808
  7. 10.1021/NP990570G
  8. 10.1021/acs.jnatprod.5b00883
  9. 10.1248/CPB.33.4132
  10. 10.3390/MOLECULES16119651

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.