Monaspiloindole
| Internal ID | 5a810fbc-ba81-4fb6-8616-ee98875cda1c |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 2-(1H-indol-3-yl)ethyl 2-phenylacetate |
| SMILES (Canonical) | C1=CC=C(C=C1)CC(=O)OCCC2=CNC3=CC=CC=C32 |
| SMILES (Isomeric) | C1=CC=C(C=C1)CC(=O)OCCC2=CNC3=CC=CC=C32 |
| InChI | InChI=1S/C18H17NO2/c20-18(12-14-6-2-1-3-7-14)21-11-10-15-13-19-17-9-5-4-8-16(15)17/h1-9,13,19H,10-12H2 |
| InChI Key | PIPKOTNRURWQII-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H17NO2 |
| Molecular Weight | 279.30 g/mol |
| Exact Mass | 279.125928785 g/mol |
| Topological Polar Surface Area (TPSA) | 42.10 Ų |
| XlogP | 3.90 |
| 2-(1H-indol-3-yl)ethyl 2-phenylacetate |
| 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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 98.80% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.31% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.63% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.40% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.42% | 92.62% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 87.10% | 92.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.27% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.54% | 97.64% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.87% | 91.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.78% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.84% | 95.50% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 81.61% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.21% | 88.56% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 80.84% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.69% | 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 | 20757008 |
| LOTUS | LTS0132793 |
| wikiData | Q77498033 |