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COCONUT Compound

CNP0126761.2

CNP0126761.2 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

COCONUT IDCNP0126761.2
InChIKeyXBGUIVFBMBVUEG-CCEZHUSRSA-N
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14+
SMILESCC(C)=CCC/C(C)=C1\CC=C(C)CC1

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)5.18
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds3
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.56
NP-likeness2.78

Classification

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

Reported in GR-MAPs Plants

Andrographis paniculata as “Andrographis paniculata” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Ajuga chamaepitys as “Ajuga chamaepitys” in COCONUT
Cymbopogon martini as “Cymbopogon martinii” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (74)

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  31. 10.1016/S0031-9422(82)85037-1
  32. 10.1016/S0031-9422(82)85040-1
  33. 10.1016/S0031-9422(82)85042-5
  34. 10.1016/S0031-9422(97)00484-6
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Showing 40 of 74. See all references on COCONUT.

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.