Bioactive Compound Details
| BioID | bio197772 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL443371 |
| Molecular Formula | C51H55NO16 |
| Molecular Weight | 937.99 |
| Molecular Weight (Monoisotopic) | 937.3521 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2',7-Diacetyltaxol |
| Smiles | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(C)=O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](OC(C)=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C |
| Inchi | InChI=1S/C51H55NO16/c1-27-35(66-47(60)41(65-30(4)55)39(32-18-12-9-13-19-32)52-45(58)33-20-14-10-15-21-33)25-51(61)44(67-46(59)34-22-16-11-17-23-34)42-49(8,43(57)40(64-29(3)54)38(27)48(51,6)7)36(63-28(2)53)24-37-50(42,26-62-37)68-31(5)56/h9-23,35-37,39-42,44,61H,24-26H2,1-8H3,(H,52,58)/t35-,36-,37+,39-,40+,41+,42-,44-,49+,50-,51+/m0/s1 |
| Inchi Key | WQUSBTYBTBXULJ-YUHJQDCISA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 1.71 |
| Records Key | ['3', '4', '3'] |
| Records Name | [2',7-diacetyltaxol", "2',7-Diacetyltaxol", "Taxol 2',7-diacetate"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
