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COCONUT Compound

Nonan-1-ol

CNP0307663.0 · C9H20O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameNonan-1-ol
IUPAC Namenonan-1-ol
COCONUT IDCNP0307663.0
CAS143-08-8, 28473-21-4
InChIKeyZWRUINPWMLAQRD-UHFFFAOYSA-N
InChIInChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
SMILESCCCCCCCCCO

Properties

Molecular FormulaC9H20O
Molecular Weight144.26
Exact Mass144.15142
Log P (ALogP)2.73
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds7
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.54
NP-likeness0.75

Classification

NP PathwayFatty acids
NP SuperclassFatty acyls
NP ClassFatty alcohols
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassFatty Acyls
Chemical SubclassFatty alcohols

Reported in GR-MAPs Plants

Mentha piperita as “Mentha X piperita” in COCONUT
Mentha Arvensis as “Mentha arvensis L.” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Emblica officinalis as “Phyllanthus emblica” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (48)

  1. 10.1002/FFJ.1417
  2. 10.1007/BF00579447
  3. 10.1007/BF00580068
  4. 10.1007/S10886-013-0302-3
  5. 10.1007/s10886-013-0302-3
  6. 10.1016/J.PHYTOCHEM.2005.10.025
  7. 10.1016/S0031-9422(00)81276-5
  8. 10.1016/S0031-9422(00)82634-5
  9. 10.1016/S0031-9422(00)86412-2
  10. 10.1016/S0031-9422(00)94990-2
  11. 10.1016/S0031-9422(02)00004-3
  12. 10.1016/S0308-8146(00)00187-4
  13. 10.1016/j.foodchem.2020.127109
  14. 10.1021/JF00112A045
  15. 10.1021/JF60199A053
  16. 10.1021/JF60218A022
  17. 10.1021/JF60218A053
  18. 10.1021/JF60220A012
  19. 10.1021/JF60224A025
  20. 10.1021/JF60228A025
  21. 10.1021/JF60230A020
  22. 10.1021/JF9911850
  23. 10.1021/NP50008A001
  24. 10.1055/S-2006-957420
  25. 10.1055/S-2006-960832
  26. 10.1055/S-2006-960872
  27. 10.1080/10412905.1991.9697952
  28. 10.1080/10412905.1991.9700495
  29. 10.1080/10412905.1995.9698496
  30. 10.1080/10412905.2002.9699883
  31. 10.1080/10412905.2010.9700338
  32. 10.1080/10942912.2016.1155057
  33. 10.1096/FJ.06-6927COM
  34. 10.1096/fj.06-6927com
  35. 10.1111/J.1365-2621.1987.TB14284.X
  36. 10.1111/J.1600-0536.1991.TB01726.X
  37. 10.1111/aec.12257
  38. 10.1155/2017/7436259
  39. 10.1248/CPB.54.222
  40. 10.1248/CPB.54.725

Showing 40 of 48. 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.