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COCONUT Compound

Piperitenone

CNP0331919.0 · C10H14O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NamePiperitenone
IUPAC Name6-isopropylidene-3-methyl-cyclohex-2-en-1-one
COCONUT IDCNP0331919.0
CAS491-09-8
InChIKeyHKZQJZIFODOLFR-UHFFFAOYSA-N
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3
SMILESCC1=CC(=O)C(=C(C)C)CC1

Properties

Molecular FormulaC10H14O
Molecular Weight150.22
Exact Mass150.10447
Log P (ALogP)2.63
TPSA17.07
H-Bond Donors / Acceptors0 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.49
NP-likeness2.15

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP Class
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassMonoterpenoids

Reported in GR-MAPs Plants

Tagetes erecta as “Tagetes erecta” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Mentha Arvensis as “Mentha arvensis L.” in COCONUT
Cymbopogon martini as “Cymbopogon Martinii” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (44)

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  2. 10.1002/FFJ.1417
  3. 10.1002/FFJ.2730010304
  4. 10.1002/FFJ.2730020110
  5. 10.1002/FFJ.2730030105
  6. 10.1002/FFJ.2730090107
  7. 10.1002/PTR.2650040606
  8. 10.1016/0031-9422(90)85103-M
  9. 10.1016/0889-1575(91)90017-Z
  10. 10.1016/J.IJFOODMICRO.2013.10.009
  11. 10.1016/J.INDCROP.2014.04.048
  12. 10.1016/J.JEP.2008.07.023
  13. 10.1016/J.PHYTOCHEM.2004.07.020
  14. 10.1016/j.jep.2008.07.023
  15. 10.1021/JF60201A021
  16. 10.1021/NP50008A001
  17. 10.1021/NP50034A038
  18. 10.1021/NP50034A039
  19. 10.1055/S-2005-871228
  20. 10.1055/S-2006-960931
  21. 10.1055/S-2006-960936
  22. 10.1055/S-2007-969274
  23. 10.1080/10412905.1990.9697881
  24. 10.1080/10412905.1991.9697971
  25. 10.1080/10412905.1991.9697994
  26. 10.1080/10412905.1994.9698316
  27. 10.1080/10412905.1994.9698394
  28. 10.1080/10412905.1994.9698409
  29. 10.1080/10412905.1994.9698442
  30. 10.1080/10412905.1995.9698469
  31. 10.1080/10412905.1995.9698503
  32. 10.1080/10412905.1995.9698524
  33. 10.1080/10412905.1995.9698558
  34. 10.1080/10412905.1995.9700529
  35. 10.1080/10412905.1996.9700563
  36. 10.1080/10412905.1997.9700709
  37. 10.1080/10412905.1998.9700854
  38. 10.1080/10412905.2000.9712169
  39. 10.1080/10412905.2001.9712227
  40. 10.1080/10412905.2018.1431966

Showing 40 of 44. 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.