[(2R)-1-(1H-indol-3-yl)-4-methyl-3-oxopentan-2-yl] acetate
| Internal ID | d6611248-0d65-4a36-9901-d65831654461 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | [(2R)-1-(1H-indol-3-yl)-4-methyl-3-oxopentan-2-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H19NO3/c1-10(2)16(19)15(20-11(3)18)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9-10,15,17H,8H2,1-3H3/t15-/m1/s1 |
| InChI Key | MNIVLQOKRHODTM-OAHLLOKOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.33 g/mol |
| Exact Mass | 273.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 59.20 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [(2R)-1-(1H-indol-3-yl)-4-methyl-3-oxopentan-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-1-1h-indol-3-yl-4-methyl-3-oxopentan-2-yl-acetate.jpg "2D Structure of [(2R)-1-(1H-indol-3-yl)-4-methyl-3-oxopentan-2-yl] acetate")
| 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 | 97.71% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.58% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.33% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.79% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.97% | 94.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.35% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.25% | 88.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.79% | 98.59% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.37% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.11% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.93% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.41% | 94.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.24% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.99% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.72% | 94.45% |
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 | 163016023 |
| LOTUS | LTS0189722 |
| wikiData | Q105168390 |