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COCONUT Compound

linoleic acid

CNP0194582.1 · C18H32O2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Namelinoleic acid
IUPAC Name(9Z,12Z)-octadeca-9,12-dienoic acid
COCONUT IDCNP0194582.1
CAS60-33-3, 8024-22-4, CAS-60-33-3, 30175-49-6, 98353-71-0, 85594-37-2, 80969-37-5
InChIKeyOYHQOLUKZRVURQ-HZJYTTRNSA-N
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O

Properties

Molecular FormulaC18H32O2
Molecular Weight280.45
Exact Mass280.24023
Log P (ALogP)5.88
TPSA37.30
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds14
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.32
NP-likeness1.19

Classification

NP PathwayFatty acids
NP SuperclassFatty Acids and Conjugates
NP ClassUnsaturated fatty acids
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Catharanthus roseus as “Catharanthus roseus” in COCONUT
Lagerstroemia speciosa as “Lagerstroemia speciosa” in COCONUT
Papaver somniferum as “Papaver somniferum” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Withania somnifera as “Withania somnifera” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Plantago ovata as “Plantago ovata” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Terminalia chebula as “Terminalia chebula” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT
Eucalyptus citriodora as “Corymbia citriodora; Eucalyptus citriodora” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (428)

  1. 10.1002/(SICI)1099-1573(199906)13:4<329::AID-PTR458>3.0.CO;2-U
  2. 10.1002/1099-1565(200011/12)11:6<345::AID-PCA540>3.0.CO;2-T
  3. 10.1002/CBDV.200490031
  4. 10.1002/CHIN.199517179
  5. 10.1002/CHIN.200331232
  6. 10.1002/EJLT.200900231
  7. 10.1002/EJLT.201000080
  8. 10.1002/EJLT.201000369
  9. 10.1002/EJLT.201100207
  10. 10.1002/FFJ.2730080506
  11. 10.1002/JCCS.199500076
  12. 10.1002/JCCS.200000074
  13. 10.1002/JCCS.200000152
  14. 10.1002/JCCS.200100154
  15. 10.1002/JCCS.200400159
  16. 10.1002/JCCS.200400211
  17. 10.1002/JCTB.280450207
  18. 10.1002/JHRC.1240090210
  19. 10.1002/JSFA.2731
  20. 10.1002/JSFA.2740390303
  21. 10.1002/JSFA.2740430111
  22. 10.1002/JSFA.2740470213
  23. 10.1002/JSFA.2740580123
  24. 10.1002/JSFA.2740580219
  25. 10.1002/JSFA.2740580422
  26. 10.1002/JSFA.2740600217
  27. 10.1002/JSFA.2740630116
  28. 10.1002/LIPI.19780800603
  29. 10.1002/LIPI.19800820508
  30. 10.1002/LIPI.19800820608
  31. 10.1002/LIPI.19820841009
  32. 10.1002/LIPI.19830850506
  33. 10.1002/LIPI.19840860106
  34. 10.1002/LIPI.19850870507
  35. 10.1002/LIPI.19850870809
  36. 10.1002/LIPI.19860880305
  37. 10.1002/LIPI.19860880806
  38. 10.1002/LIPI.19870890308
  39. 10.1002/LIPI.19920940206
  40. 10.1002/LIPI.2700971106

Showing 40 of 428. 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.