| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:01:37 UTC |
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| Updated at | 2021-01-04 18:49:24 UTC |
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| CannabisDB ID | CDB005838 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Solanoned |
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| Description | Solanone also known as 8-Methyl-5-isopropyl-6,8-nonadiene-2-one belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Solanone is a naturally occurring organic compound found in tobacco leaves and blackcurrant buds. Solanone was first discovered in 1965 by Johnson and Nicholson (J. Org. Chem. 1965, 30, 9, 2918–2921). The name "solanone" derives from "solanaceous", the plant group to which tobacco belongs. Solanone exists as a colorless to light yellow liquid and is only weakly soluble in water. It has a fruity, melon, tobacco-like aroma. Solanone is used as a fragrance additive in cigarettes. It enhances the fragrance of tobacco, improving the sensory qualities of cigarettes. It can also compensate the loss of flavor associated to procedures that lower the tar content in tobacco. Solanone is also a constituent of cannabis smoke and is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C13H22O |
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| Average Molecular Weight | 194.32 |
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| Monoisotopic Molecular Weight | 194.1671 |
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| IUPAC Name | (5S,6E)-8-methyl-5-(propan-2-yl)nona-6,8-dien-2-one |
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| Traditional Name | solanone |
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| CAS Registry Number | 1937-54-8 |
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| SMILES | CC(C)[C@H](CCC(C)=O)\C=C\C(C)=C |
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| InChI Identifier | InChI=1S/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3/b8-6+/t13-/m0/s1 |
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| InChI Key | PQDRXUSSKFWCFA-CFNZNRNTSA-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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| Spectra |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | Solanoned, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | Solanoned, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | Not Available |
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| NMR | Not Available |
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| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 4953808 |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Solanone |
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| METLIN ID | Not Available |
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| PubChem Compound | 6451337 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| General References | Not Available |
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