| CAS ID: | 520-26-3 |
| Molecular Formula: | C28H34O15 |
| Molecular Weight: | 610.6 g/mol |
| Monoisotopic Mass: | 610.1898 g/mol |
| Class: | Small Molecule |
| Natural Product: | Yes |
| Other Names: | NSC-31048 | Hesperidin |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 | See All |
| InChI Key: | QUQPHWDTPGMPEX-QJBIFVCTSA-N | |
| Smiles: | COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2 | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT03377140 | Disease | Cystic fibrosis |
| Phase | Not Applicable | Status | Recruiting |
| First Received | December 19, 2017 | Last Verified | December 19, 2017 |
| Sponsor | National Nutrition and Food Technology Institute | ||
Trial Record 2
| ClinicalTrial ID | NCT03377153 | Disease | Cystic fibrosis |
| Phase | Not Applicable | Status | Recruiting |
| First Received | December 19, 2017 | Last Verified | December 19, 2017 |
| Sponsor | National Nutrition and Food Technology Institute | ||
| PubChem: | 10621 |
| ChEMBL: | CHEMBL449317 |