| CAS ID: | 78111-17-8 |
| Molecular Formula: | C44H68O13 |
| Molecular Weight: | 805 g/mol |
| Monoisotopic Mass: | 804.466 g/mol |
| Class: | Small Molecule |
| Natural Product: | Yes |
| Other Names: | |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1 | See All |
| InChI Key: | QNDVLZJODHBUFM-WFXQOWMNSA-N | |
| Smiles: | C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]4CC(=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)C)O[C@H]2[C@H](O)C1=C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 26807168 | Target ID | T0427 |
| Uniprot ID | Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform | Name | Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform |
| Model | vitro,rat | Fibrosis Disease | Renal fibrosis |
| Process I | |||
| Process II | |||
| Process III | prevenet collagen deposition | ||
| Mechanism | |||
| PubChem: | 446512 |
| ChEMBL: | CHEMBL280487 |