| CAS ID: | 84687-43-4 |
| Molecular Formula: | C41H68O14 |
| Molecular Weight: | 785 g/mol |
| Monoisotopic Mass: | 784.4609 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,37+,38-,39+,40-,41+/m0/s1 | See All |
| InChI Key: | QMNWISYXSJWHRY-YLNUDOOFSA-N | |
| Smiles: | CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]6C(C)(C)[C@H](CC[C@@]67C[C@@]47CC[C@]23C)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 28147890 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro | Fibrosis Disease | Liver fibrosis |
| Process I | |||
| Process II | HSC activation | ||
| Process III | |||
| Mechanism | Targeting Nrf2/ARE pathway | ||
| PubChem: | 13943297 |
| ChEMBL: | CHEMBL3121562 |