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COCONUT Compound

ethanol

CNP0546367.0 · C2H6O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Nameethanol
IUPAC Nameethanol
COCONUT IDCNP0546367.0
CAS64-17-5, 68475-56-9, 42845-45-4, 8000-16-6
InChIKeyLFQSCWFLJHTTHZ-UHFFFAOYSA-N
InChIInChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
SMILESCCO

Properties

Molecular FormulaC2H6O
Molecular Weight46.07
Exact Mass46.04186
Log P (ALogP)0.00
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.41
NP-likeness0.60

Classification

NP PathwayFatty acids
NP SuperclassFatty acyls
NP ClassFatty alcohols
Chemical SuperclassOrganic oxygen compounds
Chemical ClassOrganooxygen compounds
Chemical SubclassAlcohols and polyols

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua L.” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (70)

  1. 10.1002/FFJ.1187
  2. 10.1002/FFJ.2730070108
  3. 10.1002/FOOD.19810250610
  4. 10.1002/JSFA.2740640408
  5. 10.1002/JSFA.8889
  6. 10.1007/S11306-016-1051-4
  7. 10.1016/0031-9422(82)80138-6
  8. 10.1016/0031-9422(88)80124-9
  9. 10.1016/0889-1575(91)90017-Z
  10. 10.1016/J.FOODCHEM.2019.125649
  11. 10.1016/J.FOODRES.2017.10.005
  12. 10.1016/J.PHYTOCHEM.2009.07.031
  13. 10.1016/S0031-9422(00)97781-1
  14. 10.1016/j.foodchem.2020.127109
  15. 10.1016/j.foodres.2017.10.005
  16. 10.1021/ACSSYNBIO.8B00158
  17. 10.1021/JF00008A025
  18. 10.1021/JF00034A033
  19. 10.1021/JF00063A015
  20. 10.1021/JF00064A020
  21. 10.1021/JF00077A031
  22. 10.1021/JF00085A053
  23. 10.1021/JF0402633
  24. 10.1021/JF60160A010
  25. 10.1021/JF60180A010
  26. 10.1021/JF60198A031
  27. 10.1021/JF60209A051
  28. 10.1021/JF60218A053
  29. 10.1021/JF60220A012
  30. 10.1021/NP0002583
  31. 10.1021/NP010148B
  32. 10.1021/NP0205809
  33. 10.1021/NP50008A001
  34. 10.1021/jf011456i
  35. 10.1038/MSB.2011.65
  36. 10.1038/NBT.2488
  37. 10.1055/S-2004-832654
  38. 10.1071/CH9721921
  39. 10.1071/ch9721921
  40. 10.1080/00021369.1981.10864530

Showing 40 of 70. 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.