| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:31:03 UTC |
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| Updated at | 2021-01-06 19:07:03 UTC |
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| CannabisDB ID | CDB006115 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | methyl-aceperylene |
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| Description | 1-Methyl-aceperylene is an polycyclic aromatic hydrocarbon with molecular formula C23H14. 1-Methyl-aceperylene is possibly neutral. 1-Methyl-aceperylene is one of several isomeric derivative of aceperylene which can be substituted by one methyl group at different positions. Methyl derivative of aceperylene is an organic compound found in cannabis smoke. Methyl-aceperylenes formed during the combustion of cannabis. 1-Methyl-aceperylene is a methyl derivative of aceperylene. Aceperylene is one of over 100 different polycyclic aromatic hydrocarbons (PAHs). PAHs are chemicals that are formed during the incomplete burning organic substances, such as fossil fuels. They are usually found as a mixture containing two or more of these compounds. PAHs are carcinogens and have been associated with the increased risk of skin, respiratory tract, bladder, stomach, and kidney cancers. They may also cause reproductive effects and depress the immune system(T3DB). 1-Methyl-aceperylene 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 | 3-methylhexacyclo[12.5.2.1^{2,6}.0^{11,20}.0^{17,21}.0^{10,22}]docosa-1(20),2(22),3,5,7,9,11,13,15,17(21),18-undecaene |
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| Traditional Name | 3-methylhexacyclo[12.5.2.1^{2,6}.0^{11,20}.0^{17,21}.0^{10,22}]docosa-1(20),2(22),3,5,7,9,11,13,15,17(21),18-undecaene |
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| CAS Registry Number | Not Available |
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| SMILES | CC1=CC=C2C=CC=C3C4=CC=C5C=CC6=C5C4=C(C=C6)C1=C23 |
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| InChI Identifier | InChI=1S/C23H14/c1-13-5-6-14-3-2-4-17-18-11-9-15-7-8-16-10-12-19(20(13)22(14)17)23(18)21(15)16/h2-12H,1H3 |
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| InChI Key | NIFSFGFNCRVVNE-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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