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COCONUT Compound

1-Hexacosanol

CNP0154771.0 · C26H54O · View on COCONUT ↗

2D Structure

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Identifiers

Name1-Hexacosanol
IUPAC Namehexacosan-1-ol
COCONUT IDCNP0154771.0
CAS506-52-5
InChIKeyIRHTZOCLLONTOC-UHFFFAOYSA-N
InChIInChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCO

Properties

Molecular FormulaC26H54O
Molecular Weight382.72
Exact Mass382.41747
Log P (ALogP)9.36
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds24
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.16
NP-likeness0.28

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

Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Artemisia annua as “Artemisia annua” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Azadirachta indica as “Azadirachta indica” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (101)

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  2. 10.1002/ARDP.19302680505
  3. 10.1002/CBER.19650980115
  4. 10.1002/JCCS.199900110
  5. 10.1002/JCCS.200100154
  6. 10.1002/JCCS.200400211
  7. 10.1002/JPS.2600570604
  8. 10.1002/JPS.2600620431
  9. 10.1002/JPS.2600641019
  10. 10.1002/JPS.3030350906
  11. 10.1006/BIOO.1993.1007
  12. 10.1007/BF00568228
  13. 10.1007/BF00573559
  14. 10.1007/BF00574222
  15. 10.1007/BF01100682
  16. 10.1007/BF02855623
  17. 10.1007/BF03046367
  18. 10.1007/S00217-004-0943-0
  19. 10.1007/S10600-006-0086-6
  20. 10.1007/S10600-010-9477-9
  21. 10.1007/S11745-997-0026-Z
  22. 10.1016/0031-9422(72)85043-X
  23. 10.1016/0031-9422(73)80397-8
  24. 10.1016/0031-9422(83)80097-1
  25. 10.1016/0031-9422(88)80711-8
  26. 10.1016/0031-9422(90)80134-3
  27. 10.1016/0031-9422(96)00241-5
  28. 10.1016/0305-1978(96)00011-7
  29. 10.1016/J.PHYTOCHEM.2008.10.008
  30. 10.1016/S0014-2999(03)01664-9
  31. 10.1016/S0021-9673(96)01091-6
  32. 10.1016/S0031-9422(00)00294-6
  33. 10.1016/S0031-9422(00)84356-3
  34. 10.1016/S0031-9422(00)85784-2
  35. 10.1016/S0031-9422(00)85859-8
  36. 10.1016/S0031-9422(00)86975-7
  37. 10.1016/S0031-9422(00)88557-X
  38. 10.1016/S0031-9422(00)88564-7
  39. 10.1016/S0031-9422(00)90058-X
  40. 10.1016/S0031-9422(00)97156-5

Showing 40 of 101. 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.