| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:59:13 UTC |
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| Updated at | 2021-01-04 18:49:22 UTC |
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| CannabisDB ID | CDB005814 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 1,3,4-trimethyl carbazoles |
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| Description | 1,3,4-Trimethyl carbazole also known as 1,3,4-Trimethyl-9H-carbazole is a trimethylated derivative of carbazole. It belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three-ring system containing a pyrrole ring fused on either side to a benzene ring. Carbazole is a tricyclic aromatic hydrocarbon consisting of two six-membered benzene rings fused on either side of a five-membered nitrogen-containing ring. 1,3,4-Trimethyl carbazoles is one of several structural isomers of trimethyl carbazole wherein three methyl groups are substituted at different positions of carbazole. Trimethyl carbazoles are found in cannabis smoke. 1,3,4-Trimethyl carbazoles is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C15H15N |
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| Average Molecular Weight | 209.29 |
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| Monoisotopic Molecular Weight | 209.1204 |
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| IUPAC Name | 1,3,4-trimethyl-9H-carbazole |
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| Traditional Name | 1,3,4-trimethyl-9H-carbazole |
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| CAS Registry Number | Not Available |
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| SMILES | CC1=C2NC3=CC=CC=C3C2=C(C)C(C)=C1 |
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| InChI Identifier | InChI=1S/C15H15N/c1-9-8-10(2)15-14(11(9)3)12-6-4-5-7-13(12)16-15/h4-8,16H,1-3H3 |
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| InChI Key | SCTBPXCVYKNUJA-UHFFFAOYSA-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 | 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 | | Type | Description | Splash Key | View |
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| Predicted GC-MS | 1,3,4-trimethyl carbazoles, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | Not Available |
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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 | 530842 |
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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 | 610657 |
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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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