Bioactive Compound Details
| BioID | bio197603 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2207425 |
| Molecular Formula | C36H48O6 |
| Molecular Weight | 576.77 |
| Molecular Weight (Monoisotopic) | 576.3451 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Acetoxybenzoic Acid Diosgenyl Ester |
| Smiles | CC(=O)Oc1ccccc1C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 |
| Inchi | InChI=1S/C36H48O6/c1-21-12-17-36(39-20-21)22(2)32-31(42-36)19-29-26-11-10-24-18-25(13-15-34(24,4)28(26)14-16-35(29,32)5)41-33(38)27-8-6-7-9-30(27)40-23(3)37/h6-10,21-22,25-26,28-29,31-32H,11-20H2,1-5H3/t21-,22+,25+,26-,28+,29+,31+,32+,34+,35+,36-/m1/s1 |
| Inchi Key | UCHUGKDWVTUWKV-QLHBAWKHSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 31.0 |
| Np Likeness Score | 2.26 |
| Records Key | ['5', '5'] |
| Records Name | ['NA', '2-acetoxybenzoic acid diosgenyl ester'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
