| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:27:06 UTC |
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| Updated at | 2020-11-18 16:34:58 UTC |
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| CannabisDB ID | CDB000253 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 3-Methyl-tricosane |
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| Description | 3-Methyl-tricosane is a methylated derivative of tricosane. Tricosane, also known as CH3-[CH2]21-CH3, belongs to the class of organic compounds known as alkanes and consists of a straight chain alkane containing 23 carbon atoms. Alkanes are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Tricosane is considered to be a hydrocarbon lipid molecule. It is a very hydrophobic molecule, practically insoluble in water and relatively neutral. Tricosane is an odorless, alkane tasting compound, which is solid at room temperature. Tricosane has been detected, but not quantified in, common hazelnuts. This could make tricosane a potential biomarker for the consumption of these foods. 3-Methyl-tricosane is one of many hydrocarbons that are known in Cannabis plants (PMID: 6991645 ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C24H50 |
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| Average Molecular Weight | 338.66 |
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| Monoisotopic Molecular Weight | 338.3913 |
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| IUPAC Name | (3S)-3-methyltricosane |
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| Traditional Name | (3S)-3-methyltricosane |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCCCCCCCCCCCCC[C@@H](C)CC |
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| InChI Identifier | InChI=1S/C24H50/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(3)5-2/h24H,4-23H2,1-3H3/t24-/m0/s1 |
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| InChI Key | WCAGWYVPTZQWEN-DEOSSOPVSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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| Spectra |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | View Spectrum |
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| NMR | Not Available |
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| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | Not Available |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | Not Available |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| General References | - 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 ]
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