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COCONUT Compound

(1~{R},4~{Z},9~{R})-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene

CNP0212910.2 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

IUPAC Name(1~{R},4~{Z},9~{R})-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene
COCONUT IDCNP0212910.2
InChIKeyNPNUFJAVOOONJE-ULKYWBSGSA-N
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14+/m0/s1
SMILESC=C1CC/C=C(/C)CC[C@@H]2[C@H]1CC2(C)C

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.73
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.50
NP-likeness3.43

Classification

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

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua” in COCONUT
Daucus carota as “Daucus carota” in COCONUT

References (20)

  1. 10.1002/CBDV.201300390
  2. 10.1007/BF00568368
  3. 10.1016/0031-9422(85)80022-4
  4. 10.1016/J.CHROMA.2007.12.011
  5. 10.1016/J.FOODCHEM.2012.09.111
  6. 10.1016/J.INDCROP.2011.07.024
  7. 10.1016/J.PHYTOCHEM.2005.09.012
  8. 10.1016/S0031-9422(00)80600-7
  9. 10.1016/S0031-9422(00)83939-4
  10. 10.1016/S0031-9422(00)86882-X
  11. 10.1016/S0031-9422(00)91058-6
  12. 10.1016/S0031-9422(01)00018-8
  13. 10.1016/j.indcrop.2019.111595
  14. 10.1021/JF0402633
  15. 10.1080/0972060x.2014.901612
  16. 10.1080/10412905.2000.9699486
  17. 10.1080/10412905.2010.9700304
  18. 10.17660/ACTAHORTIC.2005.677.9
  19. 10.3390/MOLECULES21060814
  20. 10.3390/molecules23020358

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.