| CAS ID: | 22888-70-6 |
| Molecular Formula: | C25H22O10 |
| Molecular Weight: | 482.4 g/mol |
| Monoisotopic Mass: | 482.1213 g/mol |
| Class: | Small Molecule |
| Natural Product: | Yes |
| Other Names: | Silybin A | Silymarin |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1 | See All |
| InChI Key: | SEBFKMXJBCUCAI-HKTJVKLFSA-N | |
| Smiles: | COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 24345506 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro,rat | Fibrosis Disease | Liver fibrosis |
| Process I | attenue inflammation | ||
| Process II | |||
| Process III | prevenet collagen deposition | ||
| Mechanism | Targeting PXR | ||
Reference Record 2
| PubMed ID | 21901059 | Target ID | |
| Uniprot ID | Name | ||
| Model | rat | Fibrosis Disease | Liver fibrosis |
| Process I | |||
| Process II | |||
| Process III | |||
| Mechanism | |||
Reference Record 3
| PubMed ID | 19474275 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro | Fibrosis Disease | Fibrosis |
| Process I | |||
| Process II | |||
| Process III | prevenet collagen deposition | ||
| Mechanism | |||
Trial Record 1
| ClinicalTrial ID | NCT01935817 | Disease | Liver fibrosis |
| Phase | Phase 3 | Status | Completed |
| First Received | September 5, 2013 | Last Verified | September 5, 2013 |
| Sponsor | University of Catania | ||
Trial Record 2
| ClinicalTrial ID | NCT01816490 | Disease | Liver fibrosis |
| Phase | Phase 2 | Status | Completed |
| First Received | March 22, 2013 | Last Verified | March 5, 2015 |
| Sponsor | University of Zurich | ||
| PubChem: | 31553 |
| ChEMBL: | CHEMBL431701 |