| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:30:57 UTC |
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| Updated at | 2021-01-06 19:07:03 UTC |
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| CannabisDB ID | CDB006114 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | methyl-indeno[1,2,3-c d]pyrene |
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| Description | Methyl-indeno[1,2,3-c d]pyrene belongs to the class of organic compounds known as pyrenes. Pyrene is a polycyclic aromatic hydrocarbon (PAH) consisting of four fused benzene rings, resulting in a flat aromatic system. This colourless solid is the smallest peri-fused PAH (one where the rings are fused through more than one face). Pyrene results from the incomplete combustion of organic compounds, in a wide array of conditions. The aromaticity and peri-fused condition of pyrene make it a more stable combustion product than its isomer fluoranthene. 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. Methyl-indeno[1,2,3-c d]pyrene 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 | Not Available |
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| Chemical Formula | C23H14 |
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| Average Molecular Weight | 290.37 |
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| Monoisotopic Molecular Weight | 290.1096 |
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| IUPAC Name | 10-methylhexacyclo[16.3.1.0^{2,7}.0^{8,21}.0^{11,20}.0^{14,19}]docosa-1(22),2,4,6,8,10,12,14(19),15,17,20-undecaene |
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| Traditional Name | 10-methylhexacyclo[16.3.1.0^{2,7}.0^{8,21}.0^{11,20}.0^{14,19}]docosa-1(22),2,4,6,8,10,12,14(19),15,17,20-undecaene |
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| CAS Registry Number | 64158-98-1 |
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| SMILES | CC1=C2C=CC3=C4C(=CC=C3)C=C3C5=CC=CC=C5C(=C1)C3=C24 |
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| InChI Identifier | InChI=1S/C23H14/c1-13-11-19-17-7-2-3-8-18(17)20-12-15-6-4-5-14-9-10-16(13)23(21(14)15)22(19)20/h2-12H,1H3 |
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| InChI Key | UYCWBHRERXTHRJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as pyrenes. Pyrenes are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Pyrenes |
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| Sub Class | Not Available |
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| Direct Parent | Pyrenes |
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| Alternative Parents | |
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| Substituents | - Pyrene
- Phenanthrene
- 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 | 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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