Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-26 03:25:55 UTC |
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Update Date | 2016-11-09 01:20:44 UTC |
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Accession Number | CHEM032490 |
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Identification |
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Common Name | Clovamide |
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Class | Small Molecule |
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Description | (S,Z)-Clovamide is found in herbs and spices. (S,Z)-Clovamide is isolated from Trifolium pratense (red clover). |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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Caffeoyl 3-hydroxytyrosine | HMDB | N-(3,4-Dihydroxycinnamoyl)dopa | HMDB | N-Caffeoyl dopa | HMDB | N-[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-3-hydroxytyrosine, 9ci | HMDB | 3-(3,4-Dihydroxyphenyl)-2-{[(2Z)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}propanoate | Generator | Clovamide | MeSH |
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Chemical Formula | C18H17NO7 |
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Average Molecular Mass | 359.330 g/mol |
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Monoisotopic Mass | 359.101 g/mol |
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CAS Registry Number | 53755-02-5 |
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IUPAC Name | 3-(3,4-dihydroxyphenyl)-2-[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enamido]propanoic acid |
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Traditional Name | 3-(3,4-dihydroxyphenyl)-2-[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enamido]propanoic acid |
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SMILES | OC(=O)C(CC1=CC=C(O)C(O)=C1)NC(=O)\C=C/C1=CC=C(O)C(O)=C1 |
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InChI Identifier | InChI=1S/C18H17NO7/c20-13-4-1-10(8-15(13)22)3-6-17(24)19-12(18(25)26)7-11-2-5-14(21)16(23)9-11/h1-6,8-9,12,20-23H,7H2,(H,19,24)(H,25,26)/b6-3- |
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InChI Key | GPZFXSWMDFBRGS-UTCJRWHESA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Tyrosine and derivatives |
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Alternative Parents | |
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Substituents | - Tyrosine or derivatives
- Phenylalanine or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Cinnamic acid amide
- Cinnamic acid or derivatives
- Hydroxycinnamic acid or derivatives
- 3-phenylpropanoic-acid
- Amphetamine or derivatives
- Styrene
- Catechol
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- 1-hydroxy-4-unsubstituted benzenoid
- Benzenoid
- Monocyclic benzene moiety
- Carboxamide group
- Secondary carboxylic acid amide
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organonitrogen compound
- Organooxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxygen compound
- Organic nitrogen compound
- Organic oxide
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-03k9-0901000000-077187187ce74b3c30a4 | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive | splash10-001i-3041098000-addb0d4577038a3bdc60 | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03dj-0908000000-d2a3166e264e3f62d300 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0w29-0901000000-e895b506bc8ed6bd1c3f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00di-0900000000-b46c55065488cb80db9c | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0219000000-552089c75172347b352a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-08fr-1935000000-c873da49a7630ff78d50 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-006x-6900000000-1b350f2624774f023d29 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0009000000-1fb19f159d356abf519c | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03ki-0911000000-f8596575f629e7eaa43f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0079-1900000000-872a2c9f83a867e17fe6 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0409000000-5a01b1b3c938a5799057 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0901000000-a99a3e688da4ad8d734a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00ri-2910000000-2e715e2575b997407556 | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB0039157 |
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FooDB ID | FDB018677 |
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Phenol Explorer ID | 550 |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Clovamide |
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Chemspider ID | 35014756 |
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ChEBI ID | Not Available |
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PubChem Compound ID | 45934470 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | |
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