CTI
1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
Find entries where: CTI
is present as a standalone ligand in 5 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium |
| Synonyms | chelerythrine |
| Identifiers | 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium |
| Formula | C21 H18 N O4 |
| Molecular Weight | 348.372 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5 |
| 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 |
Chemical Details | |
|---|---|
| Formal Charge | 1 |
| Atom Count | 44 |
| Chiral Atom Count | 0 |
| Bond Count | 48 |
| Aromatic Bond Count | 21 |
Drug Info: DrugBank
| DrugBank ID | DB17024 |
|---|---|
| Name | Chelerythrine |
| Groups | investigational |
| Description | A benzophenanthridine alkaloid evaluated as a kinase-inhibitor.[A252982] |
| Synonyms |
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| Categories |
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| CAS number | 34316-15-9 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL13045 |
| PubChem | 2703 |
| ChEMBL | CHEMBL13045 |
| ChEBI | CHEBI:78373 |
| CCDC/CSD | ZOXWER01, ZOXWER |
| COD | 1558617 |
