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CHEBI:78373 - chelerythrine
| Formula | C21H18NO4 |
| Net Charge | +1 |
| Average Mass | 348.378 |
| Monoisotopic Mass | 348.12303 |
| SMILES | COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC |
| 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 |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. EC 2.7.11.13 (protein kinase C) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| chelerythrine (CHEBI:78373) has role antibacterial agent (CHEBI:33282) |
| chelerythrine (CHEBI:78373) has role antineoplastic agent (CHEBI:35610) |
| chelerythrine (CHEBI:78373) has role EC 2.7.11.13 (protein kinase C) inhibitor (CHEBI:37700) |
| chelerythrine (CHEBI:78373) is a benzophenanthridine alkaloid (CHEBI:38517) |
| chelerythrine (CHEBI:78373) is a organic cation (CHEBI:25697) |
| IUPAC Name |
|---|
| 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium |
| Synonym | Source |
|---|---|
| 1,2-Dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium | ChemIDplus |
| UniProt Name | Source |
|---|---|
| chelerythrine | UniProt |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3915260 | Reaxys |
| CAS:34316-15-9 | KEGG COMPOUND |
| CAS:34316-15-9 | ChemIDplus |
| Citations |
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