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 17:35:21 UTC |
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Update Date | 2022-03-07 02:52:27 UTC |
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HMDB ID | HMDB0030190 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | (E,E)-Lansamide I |
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Description | (E,E)-Lansamide I, also known as lansiumamide b, belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid. Based on a literature review very few articles have been published on (E,E)-Lansamide I. |
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Structure | CN(\C=C/C1=CC=CC=C1)C(=O)\C=C\C1=CC=CC=C1 InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14- |
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Synonyms | Value | Source |
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N-Methyl-N-styrylcinnamamide | HMDB | Lansiumamide b | HMDB |
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Chemical Formula | C18H17NO |
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Average Molecular Weight | 263.3337 |
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Monoisotopic Molecular Weight | 263.131014171 |
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IUPAC Name | (2E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide |
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Traditional Name | (2E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide |
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CAS Registry Number | 77527-97-0 |
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SMILES | CN(\C=C/C1=CC=CC=C1)C(=O)\C=C\C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14- |
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InChI Key | VJGRWRRIAJQNFU-NQDQBVNISA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Cinnamic acids and derivatives |
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Sub Class | Not Available |
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Direct Parent | Cinnamic acids and derivatives |
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Alternative Parents | |
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Substituents | - Cinnamic acid or derivatives
- Styrene
- Monocyclic benzene moiety
- Benzenoid
- Tertiary carboxylic acid amide
- Carboxamide group
- Carboxylic acid derivative
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Organic nitrogen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 124 - 125 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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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 IndicesUnderivatized |
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Spectra |
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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 - (E,E)-Lansamide I GC-MS (Non-derivatized) - 70eV, Positive | splash10-001i-2930000000-4193845f583e7fc545f8 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (E,E)-Lansamide I 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 - (E,E)-Lansamide I 10V, Positive-QTOF | splash10-03di-0690000000-72f7154f3d439a4e17bb | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E,E)-Lansamide I 20V, Positive-QTOF | splash10-001i-0910000000-3eeabd56e65a77c1db34 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E,E)-Lansamide I 40V, Positive-QTOF | splash10-0udi-2900000000-987178a365a979a6c03e | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E,E)-Lansamide I 10V, Negative-QTOF | splash10-03di-0190000000-bbfaf1ca5fc139404b8e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E,E)-Lansamide I 20V, Negative-QTOF | splash10-03di-1960000000-4b87867be1ee9267e147 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E,E)-Lansamide I 40V, Negative-QTOF | splash10-0ffx-4900000000-1ba222bed5fb67af9357 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E,E)-Lansamide I 10V, Negative-QTOF | splash10-03di-0090000000-897fd6fd89cc6eff86e8 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E,E)-Lansamide I 20V, Negative-QTOF | splash10-03di-1490000000-34bdf98d9cbe93665beb | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E,E)-Lansamide I 40V, Negative-QTOF | splash10-0imi-7980000000-d1759c5866e27b2daaf2 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E,E)-Lansamide I 10V, Positive-QTOF | splash10-03di-0190000000-2283a69128d625fa7dbe | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E,E)-Lansamide I 20V, Positive-QTOF | splash10-0gx0-1920000000-cec26906d43365e98a51 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (E,E)-Lansamide I 40V, Positive-QTOF | splash10-0uec-4900000000-b05a9148139d0aa30845 | 2021-09-24 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB002008 |
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KNApSAcK ID | C00056657 |
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Chemspider ID | 9532444 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 11357517 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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