| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:08:58 UTC |
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| Updated at | 2021-01-06 19:06:59 UTC |
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| CannabisDB ID | CDB005912 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Benzo [j] fluoranthene |
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| Description | Benzo[j]fluoranthene belongs to the class of organic compounds known as fluoranthenes. Fluoranthene is a polycyclic aromatic hydrocarbon (PAH) that consists of a naphthalene moiety connected by a five membered ring to a benzene. Fluoranthene is a colorless solid, although samples may appear as pale yellow. Fluoranthene is an isomer of pyrene and it results from the incomplete combustion of organic compounds, in a wide array of conditions. However, fluoranthene is less stable than pyrene and thus, less abundant. 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 pyrene, 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. Benzo[j]fluoranthene 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(J)Fluoranthene | MeSH |
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| Chemical Formula | C20H12 |
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| Average Molecular Weight | 252.31 |
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| Monoisotopic Molecular Weight | 252.0939 |
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| IUPAC Name | pentacyclo[10.7.1.0^{2,11}.0^{3,8}.0^{16,20}]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene |
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| Traditional Name | pentacyclo[10.7.1.0^{2,11}.0^{3,8}.0^{16,20}]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene |
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| CAS Registry Number | 205-82-3 |
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| SMILES | C1=CC=C2C3=C(C=CC2=C1)C1=CC=CC2=C1C3=CC=C2 |
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| InChI Identifier | InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H |
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| InChI Key | KHNYNFUTFKJLDD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Naphthalenes |
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| Sub Class | Not Available |
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| Direct Parent | Naphthalenes |
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| Alternative Parents | |
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| Substituents | - 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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