| Identification |
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| YMDB ID | YMDB01715 |
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| Name | Humulene |
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| Species | Saccharomyces cerevisiae |
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| Strain | Brewer's yeast |
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| Description | Humulene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Humulene is possibly neutral. |
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| Structure | |
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| Synonyms | - (1E,4E,8E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
- (E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
- 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-
- 2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene
- alpha-caryophyllene
- alpha-Humulen
- alpha-Humulene
- alpha-Humulene (alpha-caryophyllene)
- alpha-Humulenen
- Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl-
- Humulene
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| CAS number | 6753-98-6 |
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| Weight | Average: 204.3511
Monoisotopic: 204.187800768 |
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| InChI Key | FAMPSKZZVDUYOS-OWEBEESNSA-N |
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| InChI | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6-,13-7+,14-10+ |
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| IUPAC Name | (1Z,4E,8E)-4,8,11,11-tetramethylcycloundeca-1,4,8-triene |
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| Traditional IUPAC Name | humulene |
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| Chemical Formula | C15H24 |
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| SMILES | C\C1=C/CC(C)(C)\C=C/C\C(C)=C\CC1 |
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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 | - Humulane sesquiterpenoid
- Sesquiterpenoid
- Branched unsaturated hydrocarbon
- Cyclic olefin
- Unsaturated aliphatic hydrocarbon
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- 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 | Solid |
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| Charge | 0 |
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| Melting point | < 25 °C |
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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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| Wood | Not Available | | Woody | 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 | 5768 | | HMDB ID | Not Available | | Pubchem Compound ID | 23204 | | Kegg ID | C09684 | | ChemSpider ID | 25995683 | | FOODB ID | Not Available | | Wikipedia ID | Humulene | | BioCyc ID | Not Available |
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