Bioactive Compound Details
| BioID | bio198337 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2207419 |
| Molecular Formula | C38H51NO7 |
| Molecular Weight | 633.83 |
| Molecular Weight (Monoisotopic) | 633.3666 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | N-(2-Acetoxybenzoyl)Glycine Diosgenyl Ester |
| Smiles | CC(=O)Oc1ccccc1C(=O)NCC(=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/C38H51NO7/c1-22-12-17-38(43-21-22)23(2)34-32(46-38)19-30-27-11-10-25-18-26(13-15-36(25,4)29(27)14-16-37(30,34)5)45-33(41)20-39-35(42)28-8-6-7-9-31(28)44-24(3)40/h6-10,22-23,26-27,29-30,32,34H,11-21H2,1-5H3,(H,39,42)/t22-,23+,26+,27-,29+,30+,32+,34+,36+,37+,38-/m1/s1 |
| Inchi Key | GJYIYMUTQALOHD-KBBUPUMNSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 1.83 |
| Records Key | ['8d'] |
| Records Name | ['N-(2-acetoxybenzoyl)glycine diosgenyl ester'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
