Bioactive Compound Details
| BioID | bio197452 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL503927 |
| Molecular Formula | C53H65NO14Si |
| Molecular Weight | 968.18 |
| Molecular Weight (Monoisotopic) | 967.4174 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'-(T-Butyldimethylsilyl)Taxol |
| Smiles | CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O |
| Inchi | InChI=1S/C53H65NO14Si/c1-30-36(65-48(61)42(68-69(10,11)49(4,5)6)40(33-21-15-12-16-22-33)54-46(59)34-23-17-13-18-24-34)28-53(62)45(66-47(60)35-25-19-14-20-26-35)43-51(9,37(57)27-38-52(43,29-63-38)67-32(3)56)44(58)41(64-31(2)55)39(30)50(53,7)8/h12-26,36-38,40-43,45,57,62H,27-29H2,1-11H3,(H,54,59)/t36-,37-,38+,40+,41+,42+,43-,45-,51+,52-,53+/m0/s1 |
| Inchi Key | KIELDCCFMKNOOM-SMCJCMRUSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['5'] |
| Records Name | [2'-(t-butyldimethylsilyl)taxol"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
