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Record Information
Version2.0
Created at2022-03-17 19:32:15 UTC
Updated at2022-03-17 19:32:16 UTC
NP-MRD IDNP0045584
Secondary Accession NumbersNone
Natural Product Identification
Common NameHexacosan-1-ol
Description
Structure
Thumb
Synonyms
ValueSource
1-HexacosanolChEBI
Ceryl alcoholChEBI
Cerylic alcoholChEBI
Hexacosyl alcoholChEBI
N-HexacosanolChEBI
1-Hexacosanol, aluminum (1:3) saltMeSH
Chemical FormulaC26H54O
Average Mass382.7064 Da
Monoisotopic Mass382.41747 Da
IUPAC Namehexacosan-1-ol
Traditional Nameceryl alcohol
CAS Registry Number506-52-5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI Identifier
InChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3
InChI KeyIRHTZOCLLONTOC-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 90 MHz, CDCl3, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50.18 MHz, CDCl3, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty alcohols
Direct ParentFatty alcohols
Alternative Parents
Substituents
  • Fatty alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP9.98ALOGPS
logP10.59ChemAxon
logS-7.4ALOGPS
pKa (Strongest Acidic)16.84ChemAxon
pKa (Strongest Basic)-2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count24ChemAxon
Refractivity123.36 m³·mol⁻¹ChemAxon
Polarizability55.85 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB001482
KNApSAcK IDC00001255
Chemspider IDNot Available
KEGG Compound IDC08381
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia Link1-Hexacosanol
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID28415
Good Scents IDNot Available
References
General References
  1. Shaari K, Zareen S, Akhtar MN, Lajis NH: Chemical constituents of Melicope ptelefolia. Nat Prod Commun. 2011 Mar;6(3):343-8. [PubMed:21485271 ]
  2. Singh B, Singh S: Antimicrobial activity of terpenoids from Trichodesma amplexicaule Roth. Phytother Res. 2003 Aug;17(7):814-6. doi: 10.1002/ptr.1202. [PubMed:12916085 ]
  3. El-Gibaly I, Abdel-Ghaffar SK: Effect of hexacosanol on the characteristics of novel sustained-release allopurinol solid lipospheres (SLS): factorial design application and product evaluation. Int J Pharm. 2005 Apr 27;294(1-2):33-51. doi: 10.1016/j.ijpharm.2004.12.027. [PubMed:15814229 ]
  4. Narimatsu N, Saito M, Kazuyama E, Hisadome Y, Kinoshita Y, Satoh I, Okada S, Suzuki H, Yamada M, Satoh K: N-hexacosanol prevents diabetes-induced rat ileal dysfunction without qualitative alteration of the muscarinic receptor system. Biomed Res. 2007 Oct;28(5):267-73. doi: 10.2220/biomedres.28.267. [PubMed:18000340 ]
  5. Abdel-Kader MS, Basudan OA, Parveen M, Amer ME: A new 3-arylcoumarin from the roots of an Egyptian collection of Lotus polyphyllos. Nat Prod Res. 2008 Mar 20;22(5):448-52. doi: 10.1080/14786410701591812. [PubMed:18404565 ]
  6. Ramadan MA, Ahmad AS, Nafady AM, Mansour AI: Chemical composition of the stem bark and leaves of Ficus pandurata Hance. Nat Prod Res. 2009;23(13):1218-30. doi: 10.1080/14786410902757899. [PubMed:19731141 ]