This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification
NameOctacosanol
Accession NumberDB11220
TypeSmall Molecule
GroupsNutraceutical
Description

1-octacosanol is a straight-chain aliphatic 28-carbon primary fatty alcohol that is used as a nutritional supplement. This high–molecular-weight organic compound is the main component of a natural product wax extracted from plants [1]. 1-octacosanol is reported to possess cholesterol-lowering effects, antiaggregatory properties, cytoprotective use, and ergogenic properties [1]. It has been studied as a potential therapeutic agent for the treatment of Parkinson's disease.

Structure
Thumb
Synonyms
cluytyl alcohol
montanyl alcohol
n-octacosanol
Octacosanol
Octacosyl alcohol
External IDs NSC-10770
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNII81I2215OVK
CAS number557-61-9
WeightAverage: 410.7595
Monoisotopic: 410.448766478
Chemical FormulaC28H58O
InChI KeyCNNRPFQICPFDPO-UHFFFAOYSA-N
InChI
InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
IUPAC Name
octacosan-1-ol
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions Not Available
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General References
  1. Taylor JC, Rapport L, Lockwood GB: Octacosanol in human health. Nutrition. 2003 Feb;19(2):192-5. [PubMed:12591561 ]
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials Not Available
Properties
StateNot Available
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility1.25e-05 mg/mLALOGPS
logP10.25ALOGPS
logP11.47ChemAxon
logS-7.5ALOGPS
pKa (Strongest Acidic)16.84ChemAxon
pKa (Strongest Basic)-2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count26ChemAxon
Refractivity132.56 m3·mol-1ChemAxon
Polarizability60.17 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MSNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01ox-0019600000-845b2a7dd4bb712ef7b5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-3459200000-7d4ea0ce8ec306880a4fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052f-5964000000-dfc15a4fc90a524158ffView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0003900000-79a6dbdbe8e2769811a8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-1009800000-b1f2b2bd96e29dc484eaView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-002f-8559000000-718f819a53882d7149b4View in MoNA
MSMass Spectrum (Electron Ionization)splash10-0a5c-9200000000-d4468fe1021d0799c6d5View in MoNA
1D NMR1H NMR SpectrumNot Available
1D NMR13C NMR SpectrumNot Available
Taxonomy
DescriptionThis compound belongs to the class of chemical entities known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
KingdomChemical entities
Super ClassOrganic compounds
ClassLipids and lipid-like molecules
Sub ClassFatty Acyls
Direct ParentFatty alcohols
Alternative ParentsPrimary alcohols / Hydrocarbon derivatives
SubstituentsFatty alcohol / Organic oxygen compound / Hydrocarbon derivative / Primary alcohol / Organooxygen compound / Alcohol / Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptorslong-chain primary fatty alcohol, fatty alcohol 28:0 (CHEBI:28243 ) / Fatty alcohols (LMFA05000003 ) / a long-chain alcohol, a primary alcohol, a fatty alcohol (CPD-7872 )
Drug created on December 03, 2015 09:51 / Updated on September 22, 2017 16:30