| PDB CCD ID: | CTI |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C21 H18 N O4 |
| InChI: | InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1 |
| InChIKey: | LLEJIEBFSOEYIV-UHFFFAOYSA-N |
| SMILES: | COc1ccc2c3ccc4cc5OCOc5cc4c3[n+](C)cc2c1OC; O1c3c(OC1)cc2ccc4c5c(c[n+](c4c2c3)C)c(OC)c(OC)cc5; C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5 |
| Name: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; chelerythrine |
| ChEMBL: | CHEMBL13045 |
| DrugBank: | DB17024 |
| ZINC: | ZINC000003872044 |
Reference: