| Identification |
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| YMDB ID | YMDB16103 |
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| Name | beta-Sesquiphellandrene |
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| Species | Saccharomyces cerevisiae |
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| Strain | Baker's yeast |
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| Description | beta-Sesquiphellandrene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. beta-Sesquiphellandrene is possibly neutral. |
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| Structure | |
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| Synonyms | - (-)-(6R,7S)-Sesquiphellandrene
- (-)-beta-Sesquiphellandrene
- (R)-3-Methylene-6-[(S)-6-methylhept-5-en-2-yl]-cyclohex-1-ene
- (-)-b-Sesquiphellandrene
- (-)-Β-sesquiphellandrene
- b-Sesquiphellandrene
- Β-sesquiphellandrene
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| CAS number | Not Available |
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| Weight | Average: 204.357
Monoisotopic: 204.187800773 |
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| InChI Key | PHWISBHSBNDZDX-LSDHHAIUSA-N |
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| InChI | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m0/s1 |
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| IUPAC Name | (3R)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohex-1-ene |
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| Traditional IUPAC Name | (3R)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohex-1-ene |
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| Chemical Formula | C15H24 |
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| SMILES | [H][C@](C)(CCC=C(C)C)[C@@]1([H])CCC(=C)C=C1 |
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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 | - Bisabolane sesquiterpenoid
- Sesquiterpenoid
- Branched unsaturated hydrocarbon
- Cycloalkene
- 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 | |
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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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| Fruity | Not Available | | Herbal | Not Available | | 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: | - Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). "Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning." J Agric Food Chem. 2009 Nov 11;57(21):10313-22.19845354
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| Synthesis Reference: | Not Available |
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| External Links: | | Resource | Link |
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| CHEBI ID | 64361 | | HMDB ID | Not Available | | Pubchem Compound ID | 12315492 | | Kegg ID | C16776 | | ChemSpider ID | Not Available | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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