|
Menu

COCONUT Compound

spermidine

CNP0279184.0 · C7H19N3 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Namespermidine
IUPAC Name~{N}'-(3-aminopropyl)butane-1,4-diamine
COCONUT IDCNP0279184.0
CAS124-20-9, 133483-05-3, 133483-10-0
InChIKeyATHGHQPFGPMSJY-UHFFFAOYSA-N
InChIInChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
SMILESNCCCCNCCCN

Properties

Molecular FormulaC7H19N3
Molecular Weight145.25
Exact Mass145.15790
Log P (ALogP)-0.34
TPSA64.07
H-Bond Donors / Acceptors3 / 3
Rotatable Bonds7
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.43
NP-likeness0.22

Classification

NP PathwayAlkaloids
NP SuperclassOrnithine alkaloids
NP ClassPolyamines
Chemical SuperclassOrganic nitrogen compounds
Chemical ClassOrganonitrogen compounds
Chemical SubclassAmines

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana Tabacum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum; Solanum lycopersicum L.” in COCONUT

References (59)

  1. 10.1002/ELPS.201300646
  2. 10.1002/elps.201300019
  3. 10.1007/BF00207599
  4. 10.1007/BF00232981
  5. 10.1007/BF00381261
  6. 10.1007/S11306-016-1051-4
  7. 10.1016/0031-9422(74)85020-X
  8. 10.1016/0031-9422(81)80099-4
  9. 10.1016/0031-9422(84)83018-6
  10. 10.1016/0031-9422(90)85082-Q
  11. 10.1016/0031-9422(90)85449-P
  12. 10.1016/0031-9422(90)85450-T
  13. 10.1016/0031-9422(91)83201-U
  14. 10.1016/0031-9422(92)83265-Z
  15. 10.1016/0305-0491(91)90393-R
  16. 10.1016/J.PLAPHY.2015.04.008
  17. 10.1016/J.POSTHARVBIO.2013.11.004
  18. 10.1016/S0031-9422(00)80066-7
  19. 10.1016/S0031-9422(00)80829-8
  20. 10.1016/S0031-9422(00)82597-2
  21. 10.1016/S0031-9422(00)82598-4
  22. 10.1016/S0031-9422(00)95154-9
  23. 10.1016/S0031-9422(01)00127-3
  24. 10.1016/S0031-9422(97)00193-3
  25. 10.1016/S0031-9422(98)00555-X
  26. 10.1016/S0031-9422(99)00191-0
  27. 10.1016/j.ab.2004.11.040
  28. 10.1016/s0021-9673(97)01198-9
  29. 10.1016/s0031-9422(00)00267-3
  30. 10.1021/CB3004226
  31. 10.1021/JF071307L
  32. 10.1021/ac1006552
  33. 10.1038/MSB.2011.65
  34. 10.1038/NBT.2488
  35. 10.1038/msb.2011.65
  36. 10.1055/S-2006-958068
  37. 10.1073/PNAS.83.16.6040
  38. 10.1080/00103620902960559
  39. 10.1089/ind.2013.0013
  40. 10.1093/OXFORDJOURNALS.PCP.A078111

Showing 40 of 59. 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.