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COCONUT Compound

2-PENTYLFURAN

CNP0210535.0 · C9H14O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name2-PENTYLFURAN
IUPAC Name2-pentylfuran
COCONUT IDCNP0210535.0
CAS3777-69-3, 64079-01-2
InChIKeyYVBAUDVGOFCUSG-UHFFFAOYSA-N
InChIInChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
SMILESCCCCCC1=CC=CO1

Properties

Molecular FormulaC9H14O
Molecular Weight138.21
Exact Mass138.10447
Log P (ALogP)3.01
TPSA13.14
H-Bond Donors / Acceptors0 / 1
Rotatable Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.58
NP-likeness-0.37

Classification

NP PathwayPolyketides
NP SuperclassCyclic polyketides
NP ClassFurans
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassFurans
Chemical SubclassFurans

Reported in GR-MAPs Plants

Chrysopogon zizanioides as “Chrysopogon zizanioides” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT

References (62)

  1. 10.1002/CBDV.201800531
  2. 10.1002/FFJ.1588
  3. 10.1002/FFJ.2730010103
  4. 10.1002/FFJ.2730100408
  5. 10.1002/JEZ.1402460308
  6. 10.1002/JSSC.200900378
  7. 10.1002/cbdv.201300409
  8. 10.1016/0031-9422(88)83101-7
  9. 10.1016/J.CGH.2013.02.015
  10. 10.1016/J.INDCROP.2012.02.029
  11. 10.1016/J.JPBA.2008.08.004
  12. 10.1016/J.PHYTOCHEM.2005.04.006
  13. 10.1016/J.PHYTOCHEM.2005.10.025
  14. 10.1016/J.PHYTOCHEM.2009.06.013
  15. 10.1016/S0031-9422(00)80682-2
  16. 10.1016/S0031-9422(02)00004-3
  17. 10.1016/S0031-9422(82)85033-4
  18. 10.1016/S0031-9422(98)00459-2
  19. 10.1016/j.cgh.2013.02.015
  20. 10.1016/j.jfda.2014.10.006
  21. 10.1021/JF00062A024
  22. 10.1021/JF00100A013
  23. 10.1021/JF0402633
  24. 10.1021/JF60199A053
  25. 10.1021/JF60218A022
  26. 10.1021/JF60220A012
  27. 10.1021/JF60228A025
  28. 10.1021/JF60230A020
  29. 10.1021/JF980653N
  30. 10.1055/S-2006-957896
  31. 10.1055/S-2006-961401
  32. 10.1055/S-2007-969136
  33. 10.1080/00021369.1987.10868496
  34. 10.1080/0972060X.2014.895210
  35. 10.1080/10412905.1991.9697935
  36. 10.1080/10412905.1991.9697985
  37. 10.1080/10412905.1992.9698149
  38. 10.1080/10412905.1992.9698151
  39. 10.1080/10412905.1993.9698205
  40. 10.1080/10412905.1993.9698206

Showing 40 of 62. 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.