2-[3-(4-Hydroxyphenyl)prop-2-enoylamino]propanoic acid
| Internal ID | 8d512f52-00ac-4e47-8e16-0b1365384a90 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids |
| IUPAC Name | 2-[3-(4-hydroxyphenyl)prop-2-enoylamino]propanoic acid |
| SMILES (Canonical) | CC(C(=O)O)NC(=O)C=CC1=CC=C(C=C1)O |
| SMILES (Isomeric) | CC(C(=O)O)NC(=O)C=CC1=CC=C(C=C1)O |
| InChI | InChI=1S/C12H13NO4/c1-8(12(16)17)13-11(15)7-4-9-2-5-10(14)6-3-9/h2-8,14H,1H3,(H,13,15)(H,16,17) |
| InChI Key | MGHQKUMJBPRMPS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.24 g/mol |
| Exact Mass | 235.08445790 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 2-[3-(4-Hydroxyphenyl)prop-2-enoylamino]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-4-hydroxyphenylprop-2-enoylaminopropanoic-acid.jpg "2D Structure of 2-[3-(4-Hydroxyphenyl)prop-2-enoylamino]propanoic acid")
| 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 | 94.33% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.78% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.18% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.16% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.32% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.37% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.90% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.56% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.14% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.76% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.66% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.38% | 94.45% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.91% | 98.35% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 80.74% | 98.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.41% | 89.00% |
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.
| Ephedra distachya |
| PubChem | 71343879 |
| LOTUS | LTS0223081 |
| wikiData | Q105163330 |