(1-Trimethylsilylindol-3-yl)methyl 4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxane-3-carboxylate
| Internal ID | 98953bd2-a93a-44ac-a6b5-f8e271244e9e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (1-trimethylsilylindol-3-yl)methyl 4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxane-3-carboxylate |
| SMILES (Canonical) | C[Si](C)(C)N1C=C(C2=CC=CC=C21)COC(=O)C3C(OC(C(C3O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C |
| SMILES (Isomeric) | C[Si](C)(C)N1C=C(C2=CC=CC=C21)COC(=O)C3C(OC(C(C3O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C |
| InChI | InChI=1S/C31H59NO7Si5/c1-40(2,3)32-20-23(24-18-16-17-19-25(24)32)21-34-30(33)27-26(22-35-41(4,5)6)36-31(39-44(13,14)15)29(38-43(10,11)12)28(27)37-42(7,8)9/h16-20,26-29,31H,21-22H2,1-15H3 |
| InChI Key | NDLCJCPSGOOLEC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H59NO7Si5 |
| Molecular Weight | 698.20 g/mol |
| Exact Mass | 697.31378589 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.99% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.71% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.69% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.52% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.26% | 89.00% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 90.69% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.23% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.11% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.94% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.55% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.80% | 90.08% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.35% | 93.65% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.24% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.11% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.81% | 97.25% |
| PubChem | 162934020 |
| LOTUS | LTS0057975 |
| wikiData | Q105177608 |