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COCONUT Compound

Arachidic acid

CNP0374238.0 · C20H40O2 · View on COCONUT ↗

2D Structure

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Identifiers

NameArachidic acid
IUPAC Nameicosanoic acid
COCONUT IDCNP0374238.0
CAS506-30-9
InChIKeyVKOBVWXKNCXXDE-UHFFFAOYSA-N
InChIInChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
SMILESCCCCCCCCCCCCCCCCCCCC(=O)O

Properties

Molecular FormulaC20H40O2
Molecular Weight312.54
Exact Mass312.30283
Log P (ALogP)7.11
TPSA37.30
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds18
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.27
NP-likeness0.32

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

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Terminalia chebula as “Terminalia chebula” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (179)

  1. 10.1002/1099-1565(200011/12)11:6<345::AID-PCA540>3.0.CO;2-T
  2. 10.1002/ARDP.19072450138
  3. 10.1002/ARDP.19803130303
  4. 10.1002/CBDV.201000088
  5. 10.1002/CHIN.197139400
  6. 10.1002/EJLT.201000080
  7. 10.1002/EJLT.201000369
  8. 10.1002/EJLT.201100207
  9. 10.1002/JHRC.1240090210
  10. 10.1002/JSFA.2731
  11. 10.1002/LIPI.19680701207
  12. 10.1002/LIPI.19820841009
  13. 10.1002/LIPI.19840860106
  14. 10.1002/LIPI.19850870507
  15. 10.1002/PTR.2212
  16. 10.1006/JFCA.2000.0968
  17. 10.1007/978-0-85729-323-7_1884
  18. 10.1007/978-0-85729-323-7_2078
  19. 10.1007/978-81-322-3912-3_507
  20. 10.1007/BF00568713
  21. 10.1007/BF00573559
  22. 10.1007/BF00579991
  23. 10.1007/BF00714911
  24. 10.1007/BF01165189
  25. 10.1007/BF02249628
  26. 10.1007/BF02249629
  27. 10.1007/BF02533484
  28. 10.1007/BF02536001
  29. 10.1007/BF02536002
  30. 10.1007/BF02536024
  31. 10.1007/BF02537064
  32. 10.1007/BF02540958
  33. 10.1007/BF02541352
  34. 10.1007/BF02541498
  35. 10.1007/BF02541638
  36. 10.1007/BF02542627
  37. 10.1007/BF02636360
  38. 10.1007/BF02653292
  39. 10.1007/BF02662286
  40. 10.1007/BF02662425

Showing 40 of 179. 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.