Summary
SMILES: COC1c2c(-c3c(N1C)c1cc4OCOc4cc1cc3)ccc(c2OC)OCInChI: InChI=1S/C22H21NO5/c1-23-20-14(6-5-12-9-17-18(10-15(12)20)28-11-27-17)13-7-8-16(24-2)21(25-3)19(13)22(23)26-4/h5-10,22H,11H2,1-4H3InChIKey: LVWAKZBZWYHYCJ-UHFFFAOYSA-N
DeepSMILES: COCcc-ccN6C))cccOCOc5cc9cc%13)))))))))))))cccc6OC)))OC
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(OC)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:angoline
External chemical identifiers:CID:189060; ChEMBL:CHEMBL4294195; ChEBI:2721; SureChEMBL:SCHEMBL13103356; MolPort-047-544-184
Chemical structure download