| CAS ID: | 21967-41-9 |
| Molecular Formula: | C21H18O11 |
| Molecular Weight: | 446.4 g/mol |
| Monoisotopic Mass: | 446.0849 g/mol |
| Class: | Small Molecule |
| Natural Product: | Yes |
| Other Names: | Baicalin |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 | See All |
| InChI Key: | IKIIZLYTISPENI-ZFORQUDYSA-N | |
| Smiles: | O[C@H]1[C@H](Oc2cc3OC(=CC(=O)c3c(O)c2O)c4ccccc4)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 28757911 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro,mice | Fibrosis Disease | Liver fibrosis |
| Process I | attenue inflammation | ||
| Process II | |||
| Process III | prevenet collagen deposition | ||
| Mechanism | Targeting Nrf2, HO-1 and GCLM | ||
Reference Record 2
| PubMed ID | 27658704 | Target ID | |
| Uniprot ID | Name | ||
| Model | mice | Fibrosis Disease | Pulmonary fibrosis |
| Process I | |||
| Process II | |||
| Process III | prevenet collagen deposition | ||
| Mechanism | Targeting A2aR signaling | ||
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 | |||
| PubChem: | 64982 |
| ChEMBL: | CHEMBL485818 |