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COCONUT Compound

1-TRICOSANOL

CNP0187621.0 · C23H48O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name1-TRICOSANOL
IUPAC Nametricosan-1-ol
COCONUT IDCNP0187621.0
CAS3133-01-5
InChIKeyFPLNRAYTBIFSFW-UHFFFAOYSA-N
InChIInChI=1S/C23H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h24H,2-23H2,1H3
SMILESCCCCCCCCCCCCCCCCCCCCCCCO

Properties

Molecular FormulaC23H48O
Molecular Weight340.64
Exact Mass340.37052
Log P (ALogP)8.19
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds21
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.21
NP-likeness0.31

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

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Artemisia annua as “Artemisia annua L.” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT

References (17)

  1. 10.1006/BIOO.1993.1007
  2. 10.1007/S00217-004-0943-0
  3. 10.1007/S11306-007-0058-2
  4. 10.1007/S13765-017-0340-6
  5. 10.1016/0031-9422(96)00241-5
  6. 10.1016/J.PHYMED.2009.07.016
  7. 10.1016/J.PHYTOCHEM.2005.10.012
  8. 10.1016/J.PHYTOCHEM.2006.09.011
  9. 10.1016/S0021-9673(96)01091-6
  10. 10.1016/S0031-9422(00)94343-7
  11. 10.1021/NP50032A034
  12. 10.1055/S-0028-1097541
  13. 10.1071/CH9640464
  14. 10.1080/0972060x.2009.10643749
  15. 10.1080/713604303
  16. 10.5650/jos.ess19091
  17. 10.5650/jos.ess21076

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.