|
Menu

COCONUT Compound

CNP0434731.1

CNP0434731.1 · C20H40 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

COCONUT IDCNP0434731.1
InChIKeyUVLKUUBSZXVVDZ-HTXNQAPBSA-N
InChIInChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20H2,1-2H3/b19-17+
SMILESCCCCCCCC/C=C/CCCCCCCCCC

Properties

Molecular FormulaC20H40
Molecular Weight280.54
Exact Mass280.31300
Log P (ALogP)7.82
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds16
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.20
NP-likeness0.64

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 (3)

  1. 10.30574/gscbps.2019.9.2.0184
  2. 10.3389/FMICB.2019.01390
  3. 10.3389/fmicb.2019.01390

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.