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Record Information
Version1.0
Created at2020-03-19 00:27:47 UTC
Updated at2020-12-07 19:07:18 UTC
CannabisDB IDCDB000266
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common Name1-Nonanol
Description1-Nonanol, also known as N-nonyl alcohol or 1-hydroxynonane, 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. 1-Nonanol is a straight chain fatty alcohol with nine carbon atoms and the molecular formula CH3(CH2)8OH. It is a colorless to slightly yellow liquid with a citrus odor similar to citronella oil. 1-Nonanol is a very hydrophobic molecule, practically insoluble in water. 1-Nonanol is a bitter, clean, and dusty tasting compound. 1-Nonanol is widespread in nature and it is found in the highest concentration within a few different foods, such as corns, winter savories, and sweet oranges and in a lower concentration in mandarin orange (clementine, tangerine), limes, and peppermints. 1-Nonanol has also been detected, but not quantified in, gingers, rocket salad, muskmelons, mung beans, and evergreen blackberries. It also occurs in oils of orange, citronella and lemon and it is also found in cheese, prickly pears and bread. 1-Nonanol is one of several alcohols that are found in cannabis plants (PMID: 6991645 ).
Structure
Thumb
Synonyms
Chemical FormulaC9H20O
Average Molecular Weight144.25
Monoisotopic Molecular Weight144.1514
IUPAC Namenonan-1-ol
Traditional Namenonanol
CAS Registry Number143-08-8
SMILES
CCCCCCCCCO
InChI Identifier
InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
InChI KeyZWRUINPWMLAQRD-UHFFFAOYSA-N
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
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Biological role:

Industrial application:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point-5 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.14 mg/mL at 25 °CNot Available
logP3.77Not Available
Predicted Properties
PropertyValueSource
logP3.76ALOGPS
logP3.03ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)16.84ChemAxon
pKa (Strongest Basic)-2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity45.14 m³·mol⁻¹ChemAxon
Polarizability19.52 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
MS/MS
NMR
TypeDescriptionView
1D NMR1H NMR Spectrum (1D, 90 MHz, CDCl3, experimental)Spectrum
1D NMR13C NMR Spectrum (1D, 25.16 MHz, CDCl3, experimental)Spectrum
Pathways
Pathways
Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
Receptors
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0031265
DrugBank IDDB03143
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003307
KNApSAcK IDC00030830
Chemspider ID8574
KEGG Compound IDC14696
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia Link1-Nonanol
METLIN IDNot Available
PubChem Compound8914
PDB IDF09
ChEBI ID35986
References
General References
  1. Turner CE, Elsohly MA, Boeren EG: Constituents of Cannabis sativa L. XVII. A review of the natural constituents. J Nat Prod. 1980 Mar-Apr;43(2):169-234. doi: 10.1021/np50008a001. [PubMed:6991645 ]

Only showing the first 10 proteins. There are 25 proteins in total.

Only showing the first 10 proteins. There are 25 proteins in total.