Summary
SMILES: COc1cc2c3c(OC)cc4c(c3c[n+](c2c2c1cc1OCOc1c2)C)OCO4InChI: InChI=1S/C22H18NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-8H,9-10H2,1-3H3/q+1InChIKey: SBVRPBAVNZNLKX-UHFFFAOYSA-N
DeepSMILES: COcccccOC))cccc6c[n+]c%10cc%14ccOCOc5c9))))))))))C))))OCO5
Scaffold Graph/Node/Bond level: c1cc2c(c[nH+]c3c4cc5c(cc4ccc23)OCO5)c2c1OCO2
Scaffold Graph/Node level: C1OC2CC3CCC4C5CCC6OCOC6C5CNC4C3CC2O1
Scaffold Graph level: C1CC2CC3CCC4C(CCC5C6CCCC6CCC54)C3CC2C1
Functional groups: 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:macarpine
External chemical identifiers:CID:440929; ChEBI:17101
Chemical structure download