| CAS ID: | 19057-60-4 |
| Molecular Formula: | C45H72O16 |
| Molecular Weight: | 869.1 g/mol |
| Monoisotopic Mass: | 868.482 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | Dioscin |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1 | See All |
| InChI Key: | VNONINPVFQTJOC-ZGXDEBHDSA-N | |
| Smiles: | C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 29033837 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro | Fibrosis Disease | Liver fibrosis |
| Process I | |||
| Process II | HSCs migration | ||
| Process III | |||
| Mechanism | Targeting SDC-4 | ||
| PubChem: | 119245 |
| ChEMBL: | CHEMBL507001 |