| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:40:00 UTC |
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| Updated at | 2021-01-04 20:37:47 UTC |
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| CannabisDB ID | CDB005631 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | N-ethyl-gamma-carboline |
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| Description | N-Ethyl-gamma-carboline belongs to the class of organic compounds known as gamma-carbolines. These are polycyclic aromatic compounds containing a gamma-carbazole(5H-pyrido[4,3-b]indole) moiety, with a structure characterized by the presence of pyridine fused to the pyrrole ring of an indole. N-Ethyl-gamma-carboline is a moderately basic compound. N-Ethyl-gamma-carboline is an ethylated derivative of gamma-carboline. It is also classified as an alkylcarboline. N-Ethyl-gamma-carboline is one of several structural isomers of ethyl-gamma-carboline which is substituted by one ethyl group at different positions. Ethyl-gamma-carbolines are found in marijuana smoke ( Ref:DOI ). N-Ethyl-gamma-carboline is formed during the combustion of cannabis. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C13H12N2 |
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| Average Molecular Weight | 196.25 |
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| Monoisotopic Molecular Weight | 196.1 |
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| IUPAC Name | 5-ethyl-5H-pyrido[4,3-b]indole |
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| Traditional Name | 5-ethylpyrido[4,3-b]indole |
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| CAS Registry Number | Not Available |
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| SMILES | CCN1C2=CC=CC=C2C2=CN=CC=C12 |
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| InChI Identifier | InChI=1S/C13H12N2/c1-2-15-12-6-4-3-5-10(12)11-9-14-8-7-13(11)15/h3-9H,2H2,1H3 |
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| InChI Key | KHJVXHPPMMSRIE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as gamma carbolines. These are polycyclic aromatic compounds containing a gamma-carbazole(5H-pyrido[4,3-b]indole) moiety, with a structure characterized by the presence of pyridine fused to the pyrrole ring of an indole. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Indoles and derivatives |
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| Sub Class | Pyridoindoles |
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| Direct Parent | Gamma carbolines |
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| Alternative Parents | |
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| Substituents | - Gamma-carboline
- N-alkylindole
- Pyrrolopyridine
- Indole
- Benzenoid
- Substituted pyrrole
- Pyridine
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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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 | 23318988 |
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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 | 44451576 |
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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 | Not Available |
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