| CAS ID: | 1405-86-3 |
| Molecular Formula: | C42H62O16 |
| Molecular Weight: | 822.9 g/mol |
| Monoisotopic Mass: | 822.4038 g/mol |
| Class: | Small Molecule |
| Natural Product: | Yes |
| Other Names: | GLYCYRRHIZINATE DIPOTASSIUM | Glycyrrhizic Acid | E958 | GLYCYRRHIZINIC ACID | GLYCYRRHIZIN | GLYCYRRHETINIC ACID |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 | See All |
| InChI Key: | LPLVUJXQOOQHMX-QWBHMCJMSA-N | |
| Smiles: | CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(=O)O)C(=O)O | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 25552658 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro,mice | Fibrosis Disease | Muscle fibrosis |
| Process I | attenue inflammation,macrophage polarization | ||
| Process II | |||
| Process III | prevenet collagen deposition | ||
| Mechanism | |||
Reference Record 2
| PubMed ID | 28476015 | Target ID | |
| Uniprot ID | Name | ||
| Model | mice | Fibrosis Disease | Pulmonary fibrosis |
| Process I | attenue inflammation,regulate cytokines and growth factors | ||
| Process II | |||
| Process III | prevenet collagen deposition | ||
| Mechanism | Targeting TGF-β1/Smad2 pathways and NOX4 | ||
| PubChem: | 14982 |
| ChEMBL: | CHEMBL441687 |