| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:32:08 UTC |
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| Updated at | 2021-01-06 19:07:04 UTC |
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| CannabisDB ID | CDB006123 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | acefluoranthene |
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| Description | Acefluoranthene is a polycyclic aromatic hydrocarbon found in is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). Acefluoranthene is possibly neutral. Acefluoranthene 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). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C18H12 |
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| Average Molecular Weight | 228.29 |
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| Monoisotopic Molecular Weight | 228.0939 |
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| IUPAC Name | pentacyclo[9.5.2.0^{2,7}.0^{8,17}.0^{14,18}]octadeca-1(16),2,4,6,8,10,14,17-octaene |
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| Traditional Name | pentacyclo[9.5.2.0^{2,7}.0^{8,17}.0^{14,18}]octadeca-1(16),2,4,6,8,10,14,17-octaene |
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| CAS Registry Number | Not Available |
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| SMILES | C1CC2=CC=C3C4=CC=CC=C4C4=CC=C1C2=C34 |
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| InChI Identifier | InChI=1S/C18H12/c1-2-4-14-13(3-1)15-9-7-11-5-6-12-8-10-16(14)18(15)17(11)12/h1-4,7-10H,5-6H2 |
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| InChI Key | QRDOCTINYSJFSJ-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 | 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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