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COCONUT Compound

CNP0224506.7

CNP0224506.7 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

COCONUT IDCNP0224506.7
InChIKeyGAIBLDCXCZKKJE-BZXLUOIMSA-N
InChIInChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8-,14-7-
SMILESC=C1/C=C\C(C(C)C)CC/C(C)=C\CC1

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.89
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.53
NP-likeness3.27

Classification

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

Reported in GR-MAPs Plants

Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT

References (9)

  1. 10.1002/HLCA.201200359
  2. 10.1016/0031-9422(83)85029-8
  3. 10.1016/J.JEP.2014.10.006
  4. 10.1016/J.PHYTOCHEM.2011.09.002
  5. 10.1016/J.PHYTOL.2014.03.007
  6. 10.1016/S0031-9422(96)00559-6
  7. 10.1016/S0040-4020(01)81958-X
  8. 10.1016/j.bse.2007.05.009
  9. 10.23850/24220582.3465

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.