N-[4'-hydroxy-(E)-cinnamoyl]-L-tyrosine methyl ester
| Internal ID | 958e64f2-8f76-4688-8f49-606bf3f0ebd3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives |
| IUPAC Name | methyl (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propanoate |
| SMILES (Canonical) | COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C=CC2=CC=C(C=C2)O |
| SMILES (Isomeric) | COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)/C=C/C2=CC=C(C=C2)O |
| InChI | InChI=1S/C19H19NO5/c1-25-19(24)17(12-14-4-9-16(22)10-5-14)20-18(23)11-6-13-2-7-15(21)8-3-13/h2-11,17,21-22H,12H2,1H3,(H,20,23)/b11-6+/t17-/m0/s1 |
| InChI Key | GHGQUMXNRYULMG-CEUCYRDJSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H19NO5 |
| Molecular Weight | 341.40 g/mol |
| Exact Mass | 341.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 95.90 Ų |
| XlogP | 2.10 |
| N-[4'-hydroxy-(E)-cinnamoyl]-L-tyrosine methyl ester |
![2D Structure of N-[4'-hydroxy-(E)-cinnamoyl]-L-tyrosine methyl ester](https://plantaedb.com/storage/docs/compounds/2023/11/n-4-hydroxy-e-cinnamoyl-l-tyrosine-methyl-ester.jpg "2D Structure of N-[4'-hydroxy-(E)-cinnamoyl]-L-tyrosine methyl ester")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.62% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.22% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.20% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.18% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.48% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.78% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.63% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.02% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.22% | 100.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 87.13% | 89.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.86% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.08% | 90.20% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 85.90% | 91.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.59% | 86.33% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.04% | 98.35% |
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.
| There are no matching plants. |
| PubChem | 53343162 |
| LOTUS | LTS0133209 |
| wikiData | Q77372112 |