(1-trimethylsilylindol-3-yl)methyl 2-[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]acetate
Internal ID | 3d2b0434-12f0-4ca9-a57e-d7387167cc2c |
Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
IUPAC Name | (1-trimethylsilylindol-3-yl)methyl 2-[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]acetate |
SMILES (Canonical) | C[Si](C)(C)N1C=C(C2=CC=CC=C21)COC(=O)CC3C(C(C(C(O3)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C |
SMILES (Isomeric) | C[Si](C)(C)N1C=C(C2=CC=CC=C21)COC(=O)C[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C |
InChI | InChI=1S/C31H59NO7Si5/c1-40(2,3)32-21-23(24-18-16-17-19-25(24)32)22-34-27(33)20-26-28(36-41(4,5)6)29(37-42(7,8)9)30(38-43(10,11)12)31(35-26)39-44(13,14)15/h16-19,21,26,28-31H,20,22H2,1-15H3/t26-,28-,29+,30-,31-/m1/s1 |
InChI Key | DIMILTCIDYCFLW-OVFXHNNVSA-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 | 97.79% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.40% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.43% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 93.29% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.91% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.51% | 86.33% |
CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.12% | 89.63% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.63% | 94.73% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.75% | 90.08% |
CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 86.60% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.10% | 89.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.99% | 91.11% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.62% | 99.23% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.82% | 80.78% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.33% | 97.25% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.86% | 92.62% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 80.40% | 91.49% |
PubChem | 163044653 |
LOTUS | LTS0096037 |
wikiData | Q104981500 |