Methyl (2r)-4-(1h-indol-3-yl)-2-methylbutanoate
| Internal ID | 2390bd82-91a8-42ec-974c-68182fff2749 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | methyl (2R)-4-(1H-indol-3-yl)-2-methylbutanoate |
| SMILES (Canonical) | CC(CCC1=CNC2=CC=CC=C21)C(=O)OC |
| SMILES (Isomeric) | C[C@H](CCC1=CNC2=CC=CC=C21)C(=O)OC |
| InChI | InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3/t10-/m1/s1 |
| InChI Key | OSINFMIOMWBGDS-SNVBAGLBSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C14H17NO2 |
| Molecular Weight | 231.29 g/mol |
| Exact Mass | 231.125928785 g/mol |
| Topological Polar Surface Area (TPSA) | 42.10 Ų |
| XlogP | 3.20 |
| Methyl (2r)-4-(1h-indol-3-yl)-2-methylbutanoate |
| 97399-93-4 |
| AKOS032962149 |
| FS-9212 |
| Methyl (R)-4-(1H-indol-3-yl)-2-methylbutanoate |
| 1H-Indole-3-butanoic acid, -methyl-, methyl ester, (R)-; (-)-Methyl 2-methyl-4-(indol-3-yl)butyrate |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.27% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.53% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.24% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.08% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.92% | 92.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.67% | 98.59% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.85% | 88.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.02% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.67% | 94.45% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.45% | 83.10% |
| CHEMBL5028 | O14672 | ADAM10 | 82.34% | 97.50% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.31% | 95.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.37% | 87.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.74% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.55% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.09% | 94.75% |
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.
| Murraya paniculata |
| PubChem | 14166403 |
| LOTUS | LTS0094266 |
| wikiData | Q104397952 |