2-[(2-hydroxy-3-phenylpropanoyl)amino]-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]propanoic acid
| Internal ID | 1a6ace4c-d010-4d90-a5c3-5396951a950a |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids |
| IUPAC Name | 2-[(2-hydroxy-3-phenylpropanoyl)amino]-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28N2O4/c1-4-25(2,3)22-18(17-12-8-9-13-19(17)26-22)15-20(24(30)31)27-23(29)21(28)14-16-10-6-5-7-11-16/h4-13,20-21,26,28H,1,14-15H2,2-3H3,(H,27,29)(H,30,31) |
| InChI Key | PNCQKGVAPWZYRN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28N2O4 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.20490738 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 2-[(2-hydroxy-3-phenylpropanoyl)amino]-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-hydroxy-3-phenylpropanoylamino-3-2-2-methylbut-3-en-2-yl-1h-indol-3-ylpropanoic-acid.jpg "2D Structure of 2-[(2-hydroxy-3-phenylpropanoyl)amino]-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]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 | 99.75% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.52% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.21% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.08% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.94% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.84% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.78% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.55% | 94.73% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.46% | 92.29% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.42% | 90.17% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 88.40% | 94.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.23% | 93.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.20% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 86.74% | 97.50% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.25% | 97.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.44% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.86% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.12% | 98.59% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.82% | 93.81% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.65% | 94.08% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.60% | 98.33% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 162820095 |
| LOTUS | LTS0091521 |
| wikiData | Q104195074 |