Ethyl 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoate
| Internal ID | 935a8c77-1f68-4714-8f50-d86152bb492d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | ethyl 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H15NO6/c1-2-19-12(18)8(6-14)13-11(17)7-4-3-5-9(15)10(7)16/h3-5,8,14-16H,2,6H2,1H3,(H,13,17) |
| InChI Key | ZNAULGVROLOSBS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H15NO6 |
| Molecular Weight | 269.25 g/mol |
| Exact Mass | 269.08993720 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of Ethyl 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/ethyl-2-23-dihydroxybenzoylamino-3-hydroxypropanoate.jpg "2D Structure of Ethyl 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoate")
| 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 | 96.22% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.40% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.24% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.23% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.19% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.66% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.44% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.11% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.26% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.04% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.43% | 94.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.74% | 91.24% |
| CHEMBL2321614 | Q9NPC2 | Potassium channel subfamily K member 9 | 80.59% | 80.00% |
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.
| There are no matching plants. |
| PubChem | 163061963 |
| LOTUS | LTS0144105 |
| wikiData | Q104202594 |