| PDB CCD ID: | QI9 |
| Number of entries in FURNA: | 3 |
| Chemical formula: | C20 H24 N2 O2 |
| InChI: | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1 |
| InChIKey: | LOUPRKONTZGTKE-WZBLMQSHSA-N |
| SMILES: | COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)O; COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2c1; COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O; COc1ccc2nccc([CH](O)[CH]3C[CH]4CC[N]3C[CH]4C=C)c2c1; O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C |
| Name: | Quinine; (3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol |
| ChEMBL: | CHEMBL170 |
| DrugBank: | DB00468 |
| ZINC: | ZINC000003831404 |
Reference: