Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:32:07 UTC |
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Update Date | 2022-03-07 02:52:15 UTC |
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HMDB ID | HMDB0029697 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Cinnamyl alcohol |
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Description | Cinnamyl alcohol, also known as styrylcarbinol or zimtalcohol, belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety. Cinnamyl alcohol is a sweet, balsam, and bitter tasting compound. Cinnamyl alcohol is found, on average, in the highest concentration within ceylon cinnamons (Cinnamomum verum) and star anises (Illicium verum). Cinnamyl alcohol has also been detected, but not quantified in, several different foods, such as oil-seed camellia (Camellia oleifera), other bread, cumins (Cuminum cyminum), chickpeas (Cicer arietinum), and buffalo currants (Ribes aureum var. villosum). This could make cinnamyl alcohol a potential biomarker for the consumption of these foods. Cinnamyl alcohol is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Cinnamyl alcohol. |
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Structure | InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2 |
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Synonyms | Value | Source |
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3-Phenyl-2-propen-1-ol | ChEBI | Styrylcarbinol | ChEBI | Zimtalcohol | ChEBI | 3-Phenyl-2-propene-1-ol | MeSH | Cinnamic alcohol | MeSH | Cinnamyl alcohol, (e)-isomer | MeSH | Cinnamyl alcohol, titanium (4+) salt | MeSH | 1-Phenyl-1-propen-3-ol | HMDB | 3-Phenyl-2-propenol | HMDB | 3-Phenylallyl alcohol | HMDB | 3-Phenylprop-2-en-1-ol | HMDB, MeSH | Cinnamyl alcohol, 8ci | HMDB | FEMA 2294 | HMDB | gamma-Phenylallyl alcohol | HMDB | Phenyl-2-propen-1-ol | HMDB | Phenyl-2-propenol | HMDB | Phenylallyl alcohol | HMDB | Styrone | HMDB | Styryl alcohol | HMDB |
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Chemical Formula | C9H10O |
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Average Molecular Weight | 134.1751 |
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Monoisotopic Molecular Weight | 134.073164942 |
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IUPAC Name | 3-phenylprop-2-en-1-ol |
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Traditional Name | 3-phenyl-2-propen-1-ol |
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CAS Registry Number | 104-54-1 |
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SMILES | OCC=CC1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2 |
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InChI Key | OOCCDEMITAIZTP-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Cinnamyl alcohols |
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Sub Class | Not Available |
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Direct Parent | Cinnamyl alcohols |
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Alternative Parents | |
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Substituents | - Cinnamyl alcohol
- Styrene
- Benzenoid
- Monocyclic benzene moiety
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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Ontology |
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Not Available | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Cinnamyl alcohol GC-MS (Non-derivatized) - 70eV, Positive | splash10-0uyl-4900000000-f5041423af8993736d98 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cinnamyl alcohol GC-MS (1 TMS) - 70eV, Positive | splash10-010c-9500000000-c3c6821e801767306100 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cinnamyl alcohol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cinnamyl alcohol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 10V, Positive-QTOF | splash10-014r-0900000000-d61d9fd352f7bed6ae4e | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 20V, Positive-QTOF | splash10-014i-1900000000-f7dabd1250954bcefeba | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 40V, Positive-QTOF | splash10-0gb9-8900000000-8482f1c6f481aa95c81c | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 10V, Negative-QTOF | splash10-001i-0900000000-aee2c26cbb0d652aec2f | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 20V, Negative-QTOF | splash10-001i-0900000000-1731b8b6e8d3c392931a | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 40V, Negative-QTOF | splash10-0gdl-6900000000-ec41da5c5b1a22a7f9dc | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 10V, Positive-QTOF | splash10-014r-0900000000-d61d9fd352f7bed6ae4e | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 20V, Positive-QTOF | splash10-014i-1900000000-f7dabd1250954bcefeba | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 40V, Positive-QTOF | splash10-0gb9-8900000000-8482f1c6f481aa95c81c | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 10V, Negative-QTOF | splash10-001i-0900000000-aee2c26cbb0d652aec2f | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 20V, Negative-QTOF | splash10-001i-0900000000-1731b8b6e8d3c392931a | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 40V, Negative-QTOF | splash10-0gdl-6900000000-ec41da5c5b1a22a7f9dc | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 10V, Negative-QTOF | splash10-0udi-1900000000-27dd5aba23f62a0bb774 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 20V, Negative-QTOF | splash10-0gbc-3900000000-3b0e7fa691549cea1017 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 40V, Negative-QTOF | splash10-016r-9200000000-ce8637df94824e2a6ed6 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 10V, Positive-QTOF | splash10-014l-4900000000-2cab5f77bd64078bc3f8 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 20V, Positive-QTOF | splash10-0006-9600000000-06cea44318e246044cfd | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cinnamyl alcohol 40V, Positive-QTOF | splash10-00kf-9100000000-e07a9637961c556fc4c5 | 2021-09-24 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum |
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