Identification |
---|
YMDB ID | YMDB01744 |
---|
Name | Methyl cinnamate |
---|
Species | Saccharomyces cerevisiae |
---|
Strain | Brewer's yeast |
---|
Description | Methyl cinnamate belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid. Based on a literature review very few articles have been published on Methyl cinnamate. |
---|
Structure | |
---|
Synonyms | - 2-Propenoic acid, 3-phenyl-, methyl ester
- 3-phenyl-2-propenoate
- 3-Phenyl-2-propenoic acid methyl
- 3-Phenyl-2-propenoic acid methyl ester (methyl cinnamate)
- 3-phenyl-2-propenoic acid, ion(1-)
- 3-phenylacrylate
- Cinnamic acid methyl ester
- cinnamic acid, ion(1-)
- Cinnamic acid, methyl ester
- Methyl (2E)-3-phenyl-2-propenoate
- Methyl 3-phenyl-2-propenoate
- Methyl 3-phenylacrylate
- methyl 3-phenylprop-2-enoate
- Methyl 3-phenylpropenoate
- methyl cinnamate (isomer)
- Methyl cinnamylate
- Methyl ester of Cinnamic acid
- trans-Methyl cinnamate
- 3-Phenyl-2-propenoate methyl
- Methyl cinnamic acid
- Methyl cinnamate, ion(1-)
- Methyl trans-cinnamate
- Methyl cinnamate, propenoic-3-(14)C-labeled
- Methyl cinnamate, cis-isomer
- Methyl cinnamate, propenoic-3-(14)C-labeled, (e)-isomer
- Methyl cinnamate, trans-isomer
- (e)-Methyl ester 3-phenyl-2-propenoate
|
---|
CAS number | 103-26-4 |
---|
Weight | Average: 162.1852 Monoisotopic: 162.068079564 |
---|
InChI Key | CCRCUPLGCSFEDV-BQYQJAHWSA-N |
---|
InChI | InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+ |
---|
IUPAC Name | methyl (2E)-3-phenylprop-2-enoate |
---|
Traditional IUPAC Name | methyl cinnamate |
---|
Chemical Formula | C10H10O2 |
---|
SMILES | COC(=O)\C=C\C1=CC=CC=C1 |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid. |
---|
Kingdom | Organic compounds |
---|
Super Class | Phenylpropanoids and polyketides |
---|
Class | Cinnamic acids and derivatives |
---|
Sub Class | Cinnamic acid esters |
---|
Direct Parent | Cinnamic acid esters |
---|
Alternative Parents | |
---|
Substituents | - Cinnamic acid ester
- Styrene
- Fatty acid ester
- Monocyclic benzene moiety
- Fatty acyl
- Benzenoid
- Methyl ester
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Aromatic homomonocyclic compounds |
---|
External Descriptors | |
---|
Physical Properties |
---|
State | Solid |
---|
Charge | 0 |
---|
Melting point | 36 °C |
---|
Experimental Properties | Property | Value | Reference |
---|
Water Solubility | Not Available | PhysProp | LogP | 2.62 [HANSCH,C ET AL. (1995)] | PhysProp |
|
---|
Predicted Properties | |
---|
Biological Properties |
---|
Cellular Locations | Not Available |
---|
Organoleptic Properties | |
---|
SMPDB Pathways | Not Available |
---|
KEGG Pathways | Not Available |
---|
SMPDB Reactions | Not Available |
---|
KEGG Reactions | Not Available |
---|
Concentrations |
---|
Intracellular Concentrations | Not Available |
---|
Extracellular Concentrations | Not Available |
---|
Spectra |
---|
Spectra | Spectrum Type | Description | Splash Key | View |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0ue9-1900000000-379d34fb8fd151e306c1 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01q9-0900000000-5ffbe8c76fc7a9d99dd2 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01q9-1900000000-c4d34454b333cc5217af | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ue9-4900000000-8663d73bf2cb0783d8ca | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0900000000-8b7585c9f65f2d4a1819 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03fr-0900000000-33da441d59a1275048f6 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-2900000000-46ce0ee70dbceb8d0d92 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0900000000-3285e0b323d2266782ae | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-2900000000-abd0c0c325ee40da24cb | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0fb9-9400000000-3c5a8c04f990bda44645 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03fr-0900000000-b6bdcd0fedc54834c9e6 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-20d806534be8d5a510db | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9300000000-f637efaadb9d92581a8a | JSpectraViewer | MS | Mass Spectrum (Electron Ionization) | splash10-0gx0-4900000000-26366970a00a3ece5f5d | JSpectraViewer | MoNA | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer |
|
---|
References |
---|
References: | Not Available |
---|
Synthesis Reference: | Not Available |
---|
External Links: | |
---|