6-Hydroxyindole-3-acetylphenylalanine
| Internal ID | e53aea89-0ba7-4832-a529-789a66f7f1db |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives |
| IUPAC Name | 2-[[2-(6-hydroxy-1H-indol-3-yl)acetyl]amino]-3-phenylpropanoic acid |
| SMILES (Canonical) | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC2=CNC3=C2C=CC(=C3)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC2=CNC3=C2C=CC(=C3)O |
| InChI | InChI=1S/C19H18N2O4/c22-14-6-7-15-13(11-20-16(15)10-14)9-18(23)21-17(19(24)25)8-12-4-2-1-3-5-12/h1-7,10-11,17,20,22H,8-9H2,(H,21,23)(H,24,25) |
| InChI Key | XYOSMXFVURVKBE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18N2O4 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.12665706 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.50 |
| CHEBI:136939 |
| (6-hydroxyindol-3-yl)acetylphenylalanine |
| N-(6-hydroxyinol-3-ylacetyl)phenylalanine |
| N-[(6-hydroxyindol-3-yl)acetyl]phenylalanine |
| N-[(6-hydroxy-1H-indol-3-yl)acetyl]phenylalanine |
| 2-[[2-(6-hydroxy-1H-indol-3-yl)acetyl]amino]-3-phenylpropanoic 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 | 99.32% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.79% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 97.52% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.89% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.33% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.07% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.82% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.58% | 95.56% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 91.34% | 82.86% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.64% | 90.17% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 90.25% | 92.67% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.39% | 94.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.90% | 91.71% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.36% | 94.23% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 87.02% | 95.55% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.39% | 97.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.16% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.12% | 95.50% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.69% | 97.23% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.24% | 97.53% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 81.03% | 87.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.56% | 91.49% |
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.
| Arabidopsis thaliana |
| PubChem | 25246189 |
| LOTUS | LTS0216572 |
| wikiData | Q105344595 |