| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:06:04 UTC |
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| Updated at | 2021-01-06 19:06:58 UTC |
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| CannabisDB ID | CDB005883 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Benzo[c] fluorene |
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| Description | 1,2,3-Trimethylanthracene belongs to the class of organic compounds known as anthracenes. Anthracenes are organic compounds containing a system of three linearly fused benzene rings. Anthracene is a solid polycyclic aromatic hydrocarbon (PAH) of formula C14H10. It is a component of coal tar and it is used in the production of the red dye alizarin and other dyes. Anthracene is colorless but exhibits a blue (400-500 nm peak) fluorescence under ultraviolet radiation. Anthracene is formally rated as a non-carcinogenic (IARC 3) but potentially toxic compound. PAH metabolism occurs in all tissues, usually by cytochrome P-450, specifically by its associated enzymes CYP1A1 and CYP1B1 (PMID: 14720319 ). These enzymes metabolize PAH's into their toxic intermediates. The metabolites of PAHs, such as phenols, quinones, and dihydrodiols, can all be conjugated to glucuronides and sulfate esters; the quinones also form glutathione conjugates. PAHs are generally considered as cancerogenic to varying degrees. 1,2,3-Trimethylanthracene is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
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| Structure | |
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| Synonyms | | Value | Source |
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| Benzo(c)fluorene | MeSH | | 3,4-Benzofluorene | MeSH | | 7H-Benzo(c)fluorene | MeSH | | 7H-benzo[c]Fluorene | KEGG |
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| Chemical Formula | C17H12 |
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| Average Molecular Weight | 216.28 |
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| Monoisotopic Molecular Weight | 216.0939 |
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| IUPAC Name | tetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2,4,6,8,12,14,16-octaene |
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| Traditional Name | tetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2,4,6,8,12,14,16-octaene |
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| CAS Registry Number | 205-12-9 |
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| SMILES | C1C2=CC=CC=C2C2=C1C=CC1=CC=CC=C21 |
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| InChI Identifier | InChI=1S/C17H12/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2 |
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| InChI Key | FRIJWEQBTIZQMD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Fluorenes |
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| Sub Class | Not Available |
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| Direct Parent | Fluorenes |
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| Alternative Parents | |
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| Substituents | - Fluorene
- Naphthalene
- Aromatic hydrocarbon
- Polycyclic hydrocarbon
- Unsaturated hydrocarbon
- Hydrocarbon
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic compounds |
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| External Descriptors | |
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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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