|
Menu

COCONUT Compound

(1~{Z},5~{E},8~{S})-8-isopropenyl-1,5-dimethyl-cyclodeca-1,5-diene

CNP0169677.2 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

IUPAC Name(1~{Z},5~{E},8~{S})-8-isopropenyl-1,5-dimethyl-cyclodeca-1,5-diene
COCONUT IDCNP0169677.2
InChIKeyXMRKUJJDDKYUHV-GNVJXCABSA-N
InChIInChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/b13-6-,14-9+/t15-/m0/s1
SMILESC=C(C)[C@@H]1C/C=C(\C)CC/C=C(/C)CC1

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)5.04
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.53
NP-likeness2.22

Classification

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

Reported in GR-MAPs Plants

Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Mentha piperita as “Mentha piperita” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT

References (27)

  1. 10.1002/CBDV.201800531
  2. 10.1007/BF00980588
  3. 10.1016/0031-9422(83)80212-X
  4. 10.1016/0031-9422(90)80058-O
  5. 10.1016/0040-4039(70)89009-8
  6. 10.1016/J.FOODCONT.2013.06.056
  7. 10.1016/J.PHYTOCHEM.2005.01.007
  8. 10.1016/S0031-9422(01)00018-8
  9. 10.1016/S0031-9422(01)00291-6
  10. 10.1016/S0031-9422(82)85037-1
  11. 10.1021/JF040437G
  12. 10.1021/NP50034A007
  13. 10.1021/NP50050A054
  14. 10.1021/NP960452I
  15. 10.1055/S-1999-14025
  16. 10.1055/S-2001-18363
  17. 10.1080/10412905.1993.9698164
  18. 10.1080/10412905.1994.9699344
  19. 10.1080/10412905.1995.9698501
  20. 10.1080/10412905.1995.9698581
  21. 10.1080/10412905.2000.9699552
  22. 10.1080/10412905.2018.1431966
  23. 10.1371/JOURNAL.PONE.0207097
  24. 10.17660/ACTAHORTIC.1999.500.11
  25. 10.2478/V10007-009-0022-Y
  26. 10.3390/MOLECULES21060814
  27. 10.5897/JMPR10.078

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.