Summary
SMILES: COc1c(OC)ccc2-c3c(N(C(c12)O)C)c1cc2OCOc2cc1cc3InChI: InChI=1S/C21H19NO5/c1-22-19-13(5-4-11-8-16-17(9-14(11)19)27-10-26-16)12-6-7-15(24-2)20(25-3)18(12)21(22)23/h4-9,21,23H,10H2,1-3H3InChIKey: RATMHCJTVBHJSU-UHFFFAOYSA-N
DeepSMILES: COccOC))ccc-ccNCc%106)O))C))cccOCOc5cc9cc%13
Scaffold Graph/Node/Bond level: c1ccc2c(c1)CNc1c-2ccc2cc3c(cc12)OCO3
Scaffold Graph/Node level: C1CCC2C(C1)CNC1C3CC4OCOC4CC3CCC21
Scaffold Graph level: C1CC2CC3CCC4C5CCCCC5CCC4C3CC2C1
Functional groups: c1cOCO1; cC(O)N(c)C; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Benzophenanthridine alkaloids
ClassyFire Subclass: Dihydrobenzophenanthridine alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids
Synonymous chemical names:8-hydroxy-dihydrochelerythrine, 8-hydroxydihydrochelerythrine
External chemical identifiers:CID:15940321; ChEMBL:CHEMBL3220152
Chemical structure download