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COCONUT Compound

CNP0295267.1

CNP0295267.1 · C23H46 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

COCONUT IDCNP0295267.1
InChIKeyIGOWHGRNPLFNDJ-HTXNQAPBSA-N
InChIInChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17+
SMILESCCCCCCCC/C=C/CCCCCCCCCCCCC

Properties

Molecular FormulaC23H46
Molecular Weight322.62
Exact Mass322.35995
Log P (ALogP)8.99
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds19
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.16
NP-likeness0.56

Classification

NP PathwayFatty acids
NP SuperclassFatty acyls
NP ClassHydrocarbons
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Terminalia chebula as “Terminalia chebula” in COCONUT

References (2)

  1. 10.1007/S10600-010-9690-6
  2. 10.1055/S-2006-960872

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.