cis-Clovamide
| Internal ID | 390687f7-f2bb-45b4-b5d1-8c04434351e1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives |
| IUPAC Name | (2S)-3-(3,4-dihydroxyphenyl)-2-[[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1CC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C[C@@H](C(=O)O)NC(=O)/C=C\C2=CC(=C(C=C2)O)O)O)O |
| InChI | 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-/t12-/m0/s1 |
| InChI Key | GPZFXSWMDFBRGS-RYBZSIHZSA-N |
| Popularity | 20 references in papers |
| Molecular Formula | C18H17NO7 |
| Molecular Weight | 359.30 g/mol |
| Exact Mass | 359.10050188 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 1.80 |
| Clovamide |
| 53755-03-6 |
| WZC65G68KW |
| (2S)-3-(3,4-dihydroxyphenyl)-2-[[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoic acid |
| L-TYROSINE, N-((2Z)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)-3-HYDROXY- |
| L-TYROSINE, N-(3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)-3-HYDROXY-, (Z)- |
| UNII-WZC65G68KW |
| DTXSID401046813 |
| AKOS040758184 |
| HY-122267A |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.22% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.13% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.39% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.85% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.54% | 91.49% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.16% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.41% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.80% | 95.50% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 88.48% | 89.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.31% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.10% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.03% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.57% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 83.63% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.17% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.06% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.69% | 93.56% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 80.64% | 92.86% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 80.25% | 96.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.21% | 96.09% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Theobroma cacao |
| Trifolium pratense |
| PubChem | 6443790 |
| LOTUS | LTS0133794 |
| wikiData | Q16919225 |