Summary
SMILES: COc1c(OC)ccc2c1CN1CCc3c(C1=C2)cc1c(c3)OCO1InChI: InChI=1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3InChIKey: FZAGOOYMTPGPGF-UHFFFAOYSA-N
DeepSMILES: COccOC))cccc6CNCCccC6=C%10))cccc6)OCO5
Scaffold Graph/Node/Bond level: C1=C2c3cc4c(cc3CCN2Cc2ccccc21)OCO4
Scaffold Graph/Node level: C1CCC2CN3CCC4CC5OCOC5CC4C3CC2C1
Scaffold Graph level: C1CCC2CC3C(CCC4CC5CCCC5CC43)CC2C1
Functional groups: c1cOCO1; cC=C(c)N(C)C; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Protoberberine alkaloids and derivatives
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids|Protoberberine alkaloids
Synonymous chemical names:lambertine
External chemical identifiers:CID:10217; ChEMBL:CHEMBL11848; ZINC:ZINC000001575028; SureChEMBL:SCHEMBL299738; MolPort-020-005-956
Chemical structure download