Showing Compound Card for 2,5,7-Trimethylquinoline (CDB006381)
| Record Information | ||||||||||||||||
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| Version | 1.0 | |||||||||||||||
| Created at | 2021-01-13 17:43:42 UTC | |||||||||||||||
| Updated at | 2021-01-13 17:43:43 UTC | |||||||||||||||
| CannabisDB ID | CDB006381 | |||||||||||||||
| Secondary Accession Numbers | Not Available | |||||||||||||||
| Cannabis Compound Identification | ||||||||||||||||
| Common Name | 2,5,7-Trimethylquinoline | |||||||||||||||
| Description | 2,5,7-Trimethylquinoline belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. 2,5,7-Trimethylquinoline is a very strong basic compound (based on its pKa). 2,5,7-Trimethylquinoline is formed during the combustion of cannabis and it can be found in cannabis smoke. | |||||||||||||||
| Structure |  | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C12H13N | |||||||||||||||
| Average Molecular Weight | 171.243 | |||||||||||||||
| Monoisotopic Molecular Weight | 171.104799423 | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CC1=CC(C)=C2C=CC(C)=NC2=C1 | |||||||||||||||
| InChI Identifier | InChI=1S/C12H13N/c1-8-6-9(2)11-5-4-10(3)13-12(11)7-8/h4-7H,1-3H3 | |||||||||||||||
| InChI Key | KUDYKIJCJSRIBX-UHFFFAOYSA-N | |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Description | Belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. | |||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||
| Super Class | Organoheterocyclic compounds | |||||||||||||||
| Class | Quinolines and derivatives | |||||||||||||||
| Sub Class | Not Available | |||||||||||||||
| Direct Parent | Quinolines and derivatives | |||||||||||||||
| Alternative Parents | ||||||||||||||||
| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | |||||||||||||||
| External Descriptors | Not Available | |||||||||||||||
| Ontology | ||||||||||||||||
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| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Spectra | ||||||||||||||||
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| Pathways | Not Available | |||||||||||||||
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| Enzymes | Not Available | |||||||||||||||
| Transporters | Not Available | |||||||||||||||
| Metal Bindings | Not Available | |||||||||||||||
| Receptors | Not Available | |||||||||||||||
| Transcriptional Factors | Not Available | |||||||||||||||
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| HMDB ID | Not Available | |||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||
| Chemspider ID | 16736298 | |||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||
| BiGG ID | Not Available | |||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||
| METLIN ID | Not Available | |||||||||||||||
| PubChem Compound | 17039661 | |||||||||||||||
| PDB ID | Not Available | |||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||
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| General References | Not Available | |||||||||||||||