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COCONUT Compound

HEXACOSANE

CNP0227499.0 · C26H54 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameHEXACOSANE
IUPAC Namehexacosane
COCONUT IDCNP0227499.0
CAS630-01-3
InChIKeyHMSWAIKSFDFLKN-UHFFFAOYSA-N
InChIInChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC

Properties

Molecular FormulaC26H54
Molecular Weight366.72
Exact Mass366.42255
Log P (ALogP)10.39
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds23
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.16
NP-likeness0.09

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” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Plantago ovata as “Plantago ovata” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Cestrum nocturnum as “Cestrum nocturnum” in COCONUT

References (64)

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  12. 10.1007/S11418-005-0009-Z
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  24. 10.1016/J.PHYTOCHEM.2005.07.016
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  26. 10.1016/J.PHYTOCHEM.2009.06.013
  27. 10.1016/J.SUPFLU.2017.09.008
  28. 10.1016/S0031-9422(00)00292-2
  29. 10.1016/S0031-9422(00)81318-7
  30. 10.1016/S0031-9422(00)88097-8
  31. 10.1016/S0031-9422(00)88703-8
  32. 10.1016/S0031-9422(00)97175-9
  33. 10.1016/S0165-022X(00)00079-8
  34. 10.1016/S0305-1978(02)00076-5
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  36. 10.1016/S0367-326X(01)00327-6
  37. 10.1016/S0367-326X(99)00057-X
  38. 10.1016/S0378-8741(02)00172-1
  39. 10.1016/j.indcrop.2010.05.011
  40. 10.1021/JF60166A003

Showing 40 of 64. 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.