|
Menu

COCONUT Compound

Falcarindiol

CNP0229318.1 · C17H24O2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameFalcarindiol
IUPAC Name(3~{R},8~{S},9~{Z})-heptadeca-1,9-dien-4,6-diyne-3,8-diol
COCONUT IDCNP0229318.1
CAS225110-25-8, 55297-87-5
InChIKeyQWCNQXNAFCBLLV-YWALDVPYSA-N
InChIInChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
SMILESC=C[C@@H](O)C#CC#C[C@@H](O)/C=C\CCCCCCC

Properties

Molecular FormulaC17H24O2
Molecular Weight260.38
Exact Mass260.17763
Log P (ALogP)2.82
TPSA40.46
H-Bond Donors / Acceptors2 / 2
Rotatable Bonds8
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.40
NP-likeness2.39

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

Daucus carota as “Daucus carota; Daucus carota subsp. carota; Daucus carota subsp. sativus (Hoffm.) Schuebl. & G. Martens” in COCONUT

References (68)

  1. 10.1002/(SICI)1099-1565(199811/12)9:6<283::AID-PCA419>3.0.CO;2-9
  2. 10.1002/CHIN.200323173
  3. 10.1002/JCCS.200200067
  4. 10.1002/PTR.2303
  5. 10.1002/PTR.2408
  6. 10.1002/food.19880321030
  7. 10.1007/BF01012274
  8. 10.1007/BF02857721
  9. 10.1007/BF02976548
  10. 10.1007/S11418-008-0266-8
  11. 10.1016/0031-9422(91)83233-B
  12. 10.1016/0031-9422(93)85291-X
  13. 10.1016/0031-9422(93)85296-4
  14. 10.1016/0305-1978(95)00058-5
  15. 10.1016/J.BMC.2007.12.021
  16. 10.1016/J.JPBA.2006.01.057
  17. 10.1016/J.PHYTOCHEM.2003.11.010
  18. 10.1016/S0031-9422(00)82550-9
  19. 10.1016/S0031-9422(00)90411-4
  20. 10.1016/S0031-9422(97)00528-1
  21. 10.1016/S0031-9422(97)00951-5
  22. 10.1016/S0304-3835(03)00466-X
  23. 10.1016/S0305-1978(01)00104-1
  24. 10.1016/S0305-1978(02)00047-9
  25. 10.1016/S0960-894X(97)10193-7
  26. 10.1016/j.jpba.2006.01.057
  27. 10.1016/j.phytochem.2003.11.010
  28. 10.1016/j.phytochem.2005.05.010
  29. 10.1016/s0040-4020(01)83330-5
  30. 10.1021/JF00097A003
  31. 10.1021/JF00110A025
  32. 10.1021/JF960025A
  33. 10.1021/JM000185K
  34. 10.1021/NP010541H
  35. 10.1021/NP040046W
  36. 10.1021/NP050301S
  37. 10.1021/NP0702133
  38. 10.1021/NP50024A026
  39. 10.1021/NP50099A022
  40. 10.1021/NP8007717

Showing 40 of 68. 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.