| PDB CCD ID: | 34G |
| Number of entries in FURNA: | 3 |
| Chemical formula: | C29 H40 N2 O4 |
| InChI: | InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m1/s1 |
| InChIKey: | AUVVAXYIELKVAI-TXQMCKRASA-N |
| SMILES: | CC[C@@H]1CN2CCc3cc(c(cc3[C@H]2C[C@H]1C[C@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC; CCC1CN2CCc3cc(c(cc3C2CC1CC4c5cc(c(cc5CCN4)OC)OC)OC)OC; CC[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1C[CH]4NCCc5cc(OC)c(OC)cc45; O(c1cc2c(cc1OC)C(NCC2)CC5CC4c3c(cc(OC)c(OC)c3)CCN4CC5CC)C; CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1C[C@@H]4NCCc5cc(OC)c(OC)cc45 |
| Name: | emetine; (3beta,14beta)-6',7',10,11-tetramethoxyemetan |
| ZINC: | ZINC000000898523 |
Reference: