| CAS ID: | 23094-69-1 |
| Molecular Formula: | C27H22O18 |
| Molecular Weight: | 634.5 g/mol |
| Monoisotopic Mass: | 634.0806 g/mol |
| Class: | Small Molecule |
| Natural Product: | Yes |
| Other Names: | Corilagin |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1 | See All |
| InChI Key: | TUSDEZXZIZRFGC-XIGLUPEJSA-N | |
| Smiles: | O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3c4c(O)c(O)c(O)cc4C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)O2 | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 22561123 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro | Fibrosis Disease | Cystic fibrosis |
| Process I | attenue inflammation | ||
| Process II | |||
| Process III | |||
| Mechanism | |||
| PubChem: | 73568 |
| ChEMBL: | CHEMBL449392 |