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COCONUT Compound

CNP0605448.2

CNP0605448.2 · C15H26 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

COCONUT IDCNP0605448.2
InChIKeyAPAPGJJZPJQKJJ-QINSGFPZSA-N
InChIInChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h9,12H,4,6-8,10-11H2,1-3,5H3/b15-12-
SMILESC=C(CC)CC/C=C(/C)CCC=C(C)C

Properties

Molecular FormulaC15H26
Molecular Weight206.37
Exact Mass206.20345
Log P (ALogP)5.43
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds7
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.49
NP-likeness2.30

Classification

NP PathwayFatty acids
NP SuperclassFatty acyls
NP ClassFarnesane sesquiterpenoids
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Daucus carota as “Daucus carota” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT

References (7)

  1. 10.1002/CBDV.201300390
  2. 10.1016/J.CHROMA.2006.08.080
  3. 10.1080/10412905.1991.9697982
  4. 10.1080/10412905.1991.9697985
  5. 10.1080/10412905.1992.9698054
  6. 10.1080/10412905.1993.9698222
  7. 10.1080/10412905.1993.9698253

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.