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| Identification |
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| YMDB ID | YMDB01588 |
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| Name | 2-Methylisoborneol |
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| Species | Saccharomyces cerevisiae |
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| Strain | Brewer's yeast |
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| Description | 2-Methylisoborneol belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. 2-Methylisoborneol is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | - (1R-exo)-1,2,7,7-tetramethylbicyclo(2.2.1)heptan-2-ol
- exo-1,2,7,7-tetramethylbicyclo(2.2.1)heptan-2-ol
- MIB
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| CAS number | 2371-42-8 |
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| Weight | Average: 168.2759
Monoisotopic: 168.151415262 |
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| InChI Key | LFYXNXGVLGKVCJ-DVVUODLYSA-N |
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| InChI | InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10+,11-/m1/s1 |
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| IUPAC Name | (1S,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol |
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| Traditional IUPAC Name | (1S,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol |
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| Chemical Formula | C11H20O |
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| SMILES | CC1(C)[C@@H]2CC[C@]1(C)[C@](C)(O)C2 |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. |
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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 | Monoterpenoids |
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| Direct Parent | Bicyclic monoterpenoids |
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| Alternative Parents | |
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| Substituents | - Bicyclic monoterpenoid
- Bornane monoterpenoid
- Tertiary alcohol
- Cyclic alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic 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 | | Flavour/Odour | Source |
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| Earth | Not Available | | Must | Not Available | | Musty | 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: | Not Available |
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| Synthesis Reference: | Not Available |
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| External Links: | | Resource | Link |
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| CHEBI ID | 61987 | | HMDB ID | Not Available | | Pubchem Compound ID | 16913 | | Kegg ID | Not Available | | ChemSpider ID | 23976421 | | FOODB ID | Not Available | | Wikipedia ID | 2-Methylisoborneol | | BioCyc ID | Not Available |
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