|
Menu

COCONUT Compound

1-tetratriacontanol

CNP0256572.0 · C34H70O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name1-tetratriacontanol
IUPAC Nametetratriacontan-1-ol
COCONUT IDCNP0256572.0
CAS28484-70-0
InChIKeyOULAJFUGPPVRBK-UHFFFAOYSA-N
InChIInChI=1S/C34H70O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35/h35H,2-34H2,1H3
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

Properties

Molecular FormulaC34H70O
Molecular Weight494.93
Exact Mass494.54267
Log P (ALogP)12.48
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds32
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.09
NP-likeness0.21

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

Oryza sativa as “Oryza sativa” in COCONUT

References (13)

  1. 10.1002/CHIN.200830184
  2. 10.1002/ptr.5412
  3. 10.1007/S00217-004-0943-0
  4. 10.1007/S10600-005-0108-9
  5. 10.1007/S10600-007-0152-8
  6. 10.1016/0031-9422(89)80376-0
  7. 10.1016/0031-9422(90)85217-4
  8. 10.1016/0031-9422(96)00241-5
  9. 10.1016/S0040-4020(01)83338-X
  10. 10.1016/S0040-4020(01)90790-2
  11. 10.1055/S-0028-1097595
  12. 10.1055/S-0028-1097753
  13. 10.4028/WWW.SCIENTIFIC.NET/AMR.554-556.1845

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.