| PDB CCD ID: | 3KD |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C16 H17 N O4 |
| InChI: | InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1 |
| InChIKey: | XGVJWXAYKUHDOO-DANNLKNASA-N |
| SMILES: | c1c2c(cc3c1OCO3)[C@@H]4[C@@H]([C@H](C=C5[C@H]4N(C2)CC5)O)O; O1c2c(OC1)cc3c(c2)C5C(O)C(O)C=C4C5N(C3)CC4; O[CH]1C=C2CCN3Cc4cc5OCOc5cc4[CH]([CH]1O)[CH]23; O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@H]([C@@H]1O)[C@@H]23; c1c2c(cc3c1OCO3)C4C(C(C=C5C4N(C2)CC5)O)O |
| Name: | (1S,2S,12bS,12cS)-2,4,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol |
| ChEMBL: | CHEMBL400092 |
| ZINC: | ZINC000003881372 |
Reference: