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COCONUT Compound

CNP0220187.2

CNP0220187.2 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

COCONUT IDCNP0220187.2
InChIKeyCXENHBSYCFFKJS-LOQWIJHWSA-N
InChIInChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10-,15-12-
SMILESC=C/C(C)=C\C/C=C(/C)CCC=C(C)C

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)5.20
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds6
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.41
NP-likeness2.77

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassFarnesane sesquiterpenoids
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Matricaria chamomilla as “Matricaria chamomilla” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT

References (3)

  1. 10.1038/JA.2006.66
  2. 10.1038/ja.2006.66
  3. 10.1080/10412905.2003.9698619

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.