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COCONUT Compound

(R)-nonacosan-10-ol

CNP0301562.2 · C29H60O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name(R)-nonacosan-10-ol
IUPAC Name(10~{R})-nonacosan-10-ol
COCONUT IDCNP0301562.2
CAS261613-72-3
InChIKeyCPGCVOVWHCWVTP-GDLZYMKVSA-N
InChIInChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3/t29-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCC[C@H](O)CCCCCCCCC

Properties

Molecular FormulaC29H60O
Molecular Weight424.80
Exact Mass424.46442
Log P (ALogP)10.53
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds26
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.14
NP-likeness0.42

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
Papaver somniferum as “Papaver somniferum” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT

References (33)

  1. 10.1002/JCCS.197200005
  2. 10.1002/JCCS.199900110
  3. 10.1007/978-3-7091-1084-3_5
  4. 10.1007/BF00579991
  5. 10.1007/BF00580548
  6. 10.1007/BF00714911
  7. 10.1016/0031-9422(75)85297-6
  8. 10.1016/0031-9422(79)80199-5
  9. 10.1016/0031-9422(81)83045-2
  10. 10.1016/0031-9422(81)85274-0
  11. 10.1016/S0031-9422(00)80113-2
  12. 10.1016/S0031-9422(00)80792-X
  13. 10.1016/S0031-9422(00)80828-6
  14. 10.1016/S0031-9422(00)81063-8
  15. 10.1016/S0031-9422(00)81114-0
  16. 10.1016/S0031-9422(00)82346-8
  17. 10.1016/S0031-9422(00)84788-3
  18. 10.1016/S0031-9422(00)86637-6
  19. 10.1016/S0031-9422(00)94655-7
  20. 10.1016/S0031-9422(82)85078-4
  21. 10.1016/S0367-326X(98)00026-4
  22. 10.1039/C39850000121
  23. 10.1080/1028602031000082016
  24. 10.1135/CCCC19743756
  25. 10.1135/CCCC19811048
  26. 10.1135/CCCC19823164
  27. 10.1139/V70-010
  28. 10.1248/CPB.18.1276
  29. 10.1248/YAKUSHI1947.90.10_1327
  30. 10.1248/YAKUSHI1947.91.1_101
  31. 10.1515/ZNB-1968-0411
  32. 10.1515/ZNC-1992-7-805
  33. 10.3891/ACTA.CHEM.SCAND.53-0124

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.