| Identification |
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| YMDB ID | YMDB01574 |
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| Name | 1-(2,3,6-Trimethylphenyl)but-1,3-diene |
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| Species | Saccharomyces cerevisiae |
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| Strain | Brewer's yeast |
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| Description | 1-(2,3,6-Trimethylphenyl)but-1,3-diene belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. 1-(2,3,6-Trimethylphenyl)but-1,3-diene is possibly neutral. 1-(2,3,6-Trimethylphenyl)but-1,3-diene may be a unique S. cerevisiae (yeast) metabolite. |
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| Structure | |
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| Synonyms | Not Available |
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| CAS number | Not Available |
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| Weight | Average: 172.2661
Monoisotopic: 172.125200512 |
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| InChI Key | CBIAGJZZVUQDOC-VOTSOKGWSA-N |
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| InChI | InChI=1S/C13H16/c1-5-6-7-13-11(3)9-8-10(2)12(13)4/h5-9H,1H2,2-4H3/b7-6+ |
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| IUPAC Name | 2-[(1E)-buta-1,3-dien-1-yl]-1,3,4-trimethylbenzene |
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| Traditional IUPAC Name | 2-[(1E)-buta-1,3-dien-1-yl]-1,3,4-trimethylbenzene |
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| Chemical Formula | C13H16 |
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| SMILES | CC1=CC=C(C)C(\C=C\C=C)=C1C |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Styrenes |
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| Direct Parent | Styrenes |
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| Alternative Parents | |
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| Substituents | - Styrene
- Aromatic hydrocarbon
- Cyclic olefin
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Charge | 0 |
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| Melting point | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Water Solubility | Not Available | PhysProp | | LogP | Not Available | PhysProp |
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| Predicted Properties | |
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| Biological Properties |
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| Cellular Locations | Not Available |
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| Organoleptic Properties | Not Available |
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| SMPDB Pathways | Not Available |
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| KEGG Pathways | Not Available |
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| SMPDB Reactions | Not Available |
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| KEGG Reactions | Not Available |
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| Concentrations |
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| Intracellular Concentrations | Not Available |
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| Extracellular Concentrations | Not Available |
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| Spectra |
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| Spectra | |
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| References |
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| References: | - Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). "Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions." J Agric Food Chem 55:6674-6684.17616208
- Cox, A., Skouroumounis, G. K., Elsey, G. M., Perkins, M. V., Sefton, M. A. (2005). "Generation of (E)-1-(2,3,6-trimethylphenyl)buta-1,3-diene from C13-norisoprenoid precursors." J Agric Food Chem 53:6777-6783.16104799
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| Synthesis Reference: | Not Available |
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| External Links: | | Resource | Link |
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| CHEBI ID | Not Available | | HMDB ID | Not Available | | Pubchem Compound ID | 17798519 | | Kegg ID | Not Available | | ChemSpider ID | Not Available | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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