| Identification |
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| YMDB ID | YMDB01607 |
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| Name | 3-Oxo-7,8-dihydro-alpha-ionol |
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| Species | Saccharomyces cerevisiae |
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| Strain | Brewer's yeast |
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| Description | 3-Oxo-7,8-dihydro-alpha-ionol belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 3-Oxo-7,8-dihydro-alpha-ionol is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | - 4-(3-Hydroxybutyl)-3,5,5-trimethyl-2-cyclohexen-1-one
- 4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
- Blumenol C
- 3-oxo-7,8-Dihydro-a-ionol
- 3-oxo-7,8-Dihydro-α-ionol
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| CAS number | Not Available |
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| Weight | Average: 210.3126
Monoisotopic: 210.161979948 |
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| InChI Key | UEEJDIUOCUCVHN-UHFFFAOYSA-N |
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| InChI | InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,10,12,14H,5-6,8H2,1-4H3 |
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| IUPAC Name | 4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one |
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| Traditional IUPAC Name | 4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one |
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| Chemical Formula | C13H22O2 |
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| SMILES | CC(O)CCC1C(C)=CC(=O)CC1(C)C |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Sesquiterpenoids |
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| Direct Parent | Sesquiterpenoids |
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| Alternative Parents | |
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| Substituents | - Megastigmane sesquiterpenoid
- Sesquiterpenoid
- Cyclohexenone
- Cyclic ketone
- Secondary alcohol
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic 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
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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 | 118284 | | Kegg ID | Not Available | | ChemSpider ID | 105714 | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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