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COCONUT Compound

gamma-Selinene

CNP0190107.4 · C15H24 · View on COCONUT ↗

2D Structure

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Identifiers

Namegamma-Selinene
IUPAC Name(4~{a}~{R},8~{a}~{S})-7-isopropylidene-4~{a}-methyl-1-methylene-decalin
COCONUT IDCNP0190107.4
CAS515-17-3
InChIKeyRMZHSBMIZBMVMN-LSDHHAIUSA-N
InChIInChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3/t14-,15+/m0/s1
SMILESC=C1CCC[C@]2(C)CCC(=C(C)C)C[C@@H]12

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.87
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.49
NP-likeness3.10

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassEudesmane sesquiterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassSesquiterpenoids

Reported in GR-MAPs Plants

Chrysopogon zizanioides as “Vetiveria Zizanioides” in COCONUT
Daucus carota as “Daucus carota” in COCONUT

References (10)

  1. 10.1007/S10886-013-0311-2
  2. 10.1016/S0031-9422(00)82471-1
  3. 10.1016/S0031-9422(00)85414-X
  4. 10.1016/S0031-9422(00)85970-1
  5. 10.1016/S0031-9422(99)00346-5
  6. 10.1016/s0031-9422(00)82471-1
  7. 10.1055/S-0028-1097540
  8. 10.1080/10412905.2002.9699852
  9. 10.1590/S0103-50532010000500012
  10. 10.5530/PJ.2016.3.3

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.