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COCONUT Compound

HEXACOSANOIC ACID

CNP0126420.0 · C26H52O2 · View on COCONUT ↗

2D Structure

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Identifiers

NameHEXACOSANOIC ACID
IUPAC Namehexacosanoic acid
COCONUT IDCNP0126420.0
CAS506-46-7
InChIKeyXMHIUKTWLZUKEX-UHFFFAOYSA-N
InChIInChI=1S/C26H52O2/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)28/h2-25H2,1H3,(H,27,28)
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Properties

Molecular FormulaC26H52O2
Molecular Weight396.70
Exact Mass396.39673
Log P (ALogP)9.45
TPSA37.30
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds24
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.16
NP-likeness0.25

Classification

NP PathwayFatty acids
NP SuperclassFatty Acids and Conjugates
NP ClassUnsaturated fatty acids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassFatty Acyls
Chemical SubclassFatty acids and conjugates

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Valeriana jatamansi as “Valeriana jatamansi” in COCONUT
Terminalia chebula as “Terminalia chebula” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (77)

  1. 10.1002/ARDP.19342724405
  2. 10.1002/ARDP.19803130303
  3. 10.1002/CBDV.200800128
  4. 10.1002/CHIN.199848194
  5. 10.1002/CHIN.201034210
  6. 10.1002/HLCA.19420250402
  7. 10.1002/HLCA.19480310402
  8. 10.1002/HLCA.200890084
  9. 10.1002/HLCA.200890092
  10. 10.1002/JPS.3080211003
  11. 10.1002/LIPI.19390461202
  12. 10.1002/PTR.2212
  13. 10.1007/BF02660305
  14. 10.1007/BF02972980
  15. 10.1007/S10600-007-0152-8
  16. 10.1007/S10600-008-0003-2
  17. 10.1007/S10600-010-9598-1
  18. 10.1007/S10600-012-0426-7
  19. 10.1007/S11306-016-1051-4
  20. 10.1007/S11418-011-0509-Y
  21. 10.1007/S40278-014-1868-4
  22. 10.1016/0031-9422(82)80068-X
  23. 10.1016/0031-9422(82)83099-9
  24. 10.1016/0031-9422(89)80361-9
  25. 10.1016/0031-9422(96)00146-X
  26. 10.1016/0031-9422(96)00241-5
  27. 10.1016/J.FITOTE.2005.08.020
  28. 10.1016/J.PHYTOCHEM.2006.03.012
  29. 10.1016/J.PHYTOCHEM.2006.09.011
  30. 10.1016/S0031-9422(00)85500-4
  31. 10.1016/S0031-9422(00)88243-6
  32. 10.1016/S0031-9422(00)90054-2
  33. 10.1016/S0031-9422(98)00111-3
  34. 10.1016/s0031-9422(00)90037-2
  35. 10.1021/JF00043A032
  36. 10.1021/JF00069A012
  37. 10.1021/JO00275A032
  38. 10.1021/JO01064A066
  39. 10.1021/NP50008A007
  40. 10.1021/NP50033A015

Showing 40 of 77. 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.