|
Menu

COCONUT Compound

HEPTADECANE

CNP0342809.0 · C17H36 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameHEPTADECANE
IUPAC Nameheptadecane
COCONUT IDCNP0342809.0
CAS629-78-7
InChIKeyNDJKXXJCMXVBJW-UHFFFAOYSA-N
InChIInChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
SMILESCCCCCCCCCCCCCCCCC

Properties

Molecular FormulaC17H36
Molecular Weight240.47
Exact Mass240.28170
Log P (ALogP)6.88
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds14
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.29
NP-likeness0.14

Classification

NP PathwayFatty acids
NP SuperclassFatty acyls
NP ClassHydrocarbons
Chemical SuperclassHydrocarbons
Chemical ClassSaturated hydrocarbons
Chemical SubclassAlkanes

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia Annua; Artemisia annua L.cultivar Jwarharti” in COCONUT
Plantago ovata as “Plantago ovata” in COCONUT
Terminalia chebula as “Terminalia chebula” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Tanacetum cinerariifolium as “Tanacetum cinerariifolium” in COCONUT
Cinnamomum verum as “Cinnamomum zeylanicum” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (82)

  1. 10.1002/(SICI)1099-1026(199901/02)14:1<15::AID-FFJ777>3.0.CO;2-M
  2. 10.1002/FFJ.1588
  3. 10.1002/FFJ.1804
  4. 10.1002/FFJ.2730070108
  5. 10.1002/PTR.2137
  6. 10.1007/BF01959170
  7. 10.1007/S11418-007-0175-2
  8. 10.1007/s10886-010-9846-7
  9. 10.1016/0031-9422(90)83036-Z
  10. 10.1016/0031-9422(92)80160-G
  11. 10.1016/0031-9422(95)00183-8
  12. 10.1016/J.ACA.2004.09.082
  13. 10.1016/J.BSE.2016.02.030
  14. 10.1016/J.CHROMA.2014.10.058
  15. 10.1016/J.FOODCHEM.2012.09.111
  16. 10.1016/J.FOODCHEM.2016.04.071
  17. 10.1016/J.INDCROP.2014.04.048
  18. 10.1016/J.JPBA.2009.01.038
  19. 10.1016/J.PHYTOCHEM.2009.07.031
  20. 10.1016/J.RENENE.2017.12.012
  21. 10.1016/S0031-9422(00)81276-5
  22. 10.1016/S0031-9422(00)81427-2
  23. 10.1016/S0031-9422(00)85772-6
  24. 10.1016/S0031-9422(00)88097-8
  25. 10.1016/S0031-9422(00)90495-3
  26. 10.1016/S0031-9422(00)94756-3
  27. 10.1016/S0031-9422(82)85033-4
  28. 10.1016/S0031-9422(97)00943-6
  29. 10.1016/S0040-4020(01)85928-7
  30. 10.1016/S0378-8741(01)00274-4
  31. 10.1021/JF00034A033
  32. 10.1021/JF00087A036
  33. 10.1021/JF00120A031
  34. 10.1021/JF60217A066
  35. 10.1021/JF960625+
  36. 10.1021/JF960927B
  37. 10.1021/JF991395C
  38. 10.1021/NP000159P
  39. 10.1021/NP50008A001
  40. 10.1021/NP50064A026

Showing 40 of 82. 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.