Summary
SMILES: COc1c(OC)ccc2c1c[n+](C)c1c2ccc2c1cc1OCOc1c2.[Cl-]InChI: InChI=1S/C21H18NO4.ClH/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;1H/q+1;/p-1InChIKey: WEEFNMFMNMASJY-UHFFFAOYSA-M
DeepSMILES: COccOC))cccc6c[n+]C)cc6cccc6ccOCOc5c9.[Cl-]
Scaffold Graph/Node/Bond level: c1ccc2c(c1)c[nH+]c1c3cc4c(cc3ccc21)OCO4
Scaffold Graph/Node level: C1CCC2C(C1)CNC1C3CC4OCOC4CC3CCC21
Scaffold Graph level: C1CC2CC3CCC4C5CCCCC5CCC4C3CC2C1
Functional groups: [Cl-]; c1cOCO1; cOC; c[n+](c)C
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Benzophenanthridine alkaloids
ClassyFire Subclass: Quaternary benzophenanthridine alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids
Synonymous chemical names:chelerythrine chloride
External chemical identifiers:CID:72311; ChEMBL:CHEMBL258893; FDASRS:7IC98TZ0PZ; SureChEMBL:SCHEMBL195109; MolPort-003-983-741
Chemical structure download