Methyl 2-acetamido-3-(4-hydroxyphenyl)-3-oxopropanoate
| Internal ID | 55c70cfb-c4c6-4977-800f-75f52f59d1d9 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | methyl 2-acetamido-3-(4-hydroxyphenyl)-3-oxopropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H13NO5/c1-7(14)13-10(12(17)18-2)11(16)8-3-5-9(15)6-4-8/h3-6,10,15H,1-2H3,(H,13,14) |
| InChI Key | KEEDKENHSWAXTE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.23 g/mol |
| Exact Mass | 251.07937252 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.80% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.66% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.15% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.18% | 97.21% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.82% | 93.10% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.12% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.20% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.82% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.33% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.42% | 98.95% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 81.26% | 98.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.20% | 86.33% |
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.
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| There are no matching plants. |
| PubChem | 162815546 |
| LOTUS | LTS0054703 |
| wikiData | Q104170205 |