|
Menu

COCONUT Compound

(+)-Cuparene

CNP0177283.1 · C15H22 · View on COCONUT ↗

This compound is also curated in GR-MAPs, with spectra, bioactivity and 3D structure: view GR-MAPs record MOL54

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name(+)-Cuparene
IUPAC Name1-methyl-4-[(1~{R})-1,2,2-trimethylcyclopentyl]benzene
COCONUT IDCNP0177283.1
CAS16982-00-6, 56324-31-3
InChIKeySLKPBCXNFNIJSV-HNNXBMFYSA-N
InChIInChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m0/s1
SMILESCC1=CC=C([C@]2(C)CCCC2(C)C)C=C1

Properties

Molecular FormulaC15H22
Molecular Weight202.34
Exact Mass202.17215
Log P (ALogP)4.46
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.63
NP-likeness1.23

Classification

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

Reported in GR-MAPs Plants

Acorus calamus as “Acorus calamus” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Chlorophytum brovillianum as “Chlorophytum borivilianum” in COCONUT

References (65)

  1. 10.1002/(SICI)1099-1026(199607)11:4<215::AID-FFJ574>3.0.CO;2-L
  2. 10.1002/FFJ.2730030303
  3. 10.1002/FFJ.2730060307
  4. 10.1002/FFJ.2730100609
  5. 10.1002/JCCS.199900029
  6. 10.1002/JCCS.200200091
  7. 10.1007/S12272-011-1218-5
  8. 10.1016/0031-9422(75)85182-X
  9. 10.1016/0031-9422(82)83156-7
  10. 10.1016/0031-9422(88)80116-X
  11. 10.1016/0031-9422(88)80606-X
  12. 10.1016/0031-9422(90)80125-Z
  13. 10.1016/0031-9422(90)83037-2
  14. 10.1016/0031-9422(90)85189-M
  15. 10.1016/0031-9422(91)83456-U
  16. 10.1016/0031-9422(91)84130-K
  17. 10.1016/0031-9422(92)80445-K
  18. 10.1016/0305-1978(85)90081-X
  19. 10.1016/0305-1978(94)90030-2
  20. 10.1016/J.APJTM.2016.06.009
  21. 10.1016/J.PHYTOCHEM.2005.10.025
  22. 10.1016/S0031-9422(00)00220-X
  23. 10.1016/S0031-9422(00)84508-2
  24. 10.1016/S0031-9422(00)84893-1
  25. 10.1016/S0031-9422(00)90433-3
  26. 10.1016/S0031-9422(00)90616-2
  27. 10.1016/S0031-9422(01)00322-3
  28. 10.1016/S0031-9422(02)00214-5
  29. 10.1016/S0031-9422(02)00542-3
  30. 10.1016/S0031-9422(96)00821-7
  31. 10.1016/S0031-9422(99)00123-5
  32. 10.1016/S0031-9422(99)00205-8
  33. 10.1016/S0031-9422(99)00321-0
  34. 10.1016/S0040-4020(01)91974-X
  35. 10.1016/S0040-4039(01)98865-3
  36. 10.1021/JF00046A030
  37. 10.1021/JF010219C
  38. 10.1021/JF030212Q
  39. 10.1021/JO01339A502
  40. 10.1021/NP010223I

Showing 40 of 65. 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.