Summary
SMILES: COc1c(OC)ccc2c1cnc1c2ccc2c1cc1OCOc1c2InChI: InChI=1S/C20H15NO4/c1-22-16-6-5-12-13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21-9-15(12)20(16)23-2/h3-9H,10H2,1-2H3InChIKey: JGUNQXPMULKFNY-UHFFFAOYSA-N
DeepSMILES: COccOC))cccc6cncc6cccc6ccOCOc5c9
Scaffold Graph/Node/Bond level: c1ccc2c(c1)cnc1c3cc4c(cc3ccc21)OCO4
Scaffold Graph/Node level: C1CCC2C(C1)CNC1C3CC4OCOC4CC3CCC21
Scaffold Graph level: C1CC2CC3CCC4C5CCCCC5CCC4C3CC2C1
Functional groups: c1cOCO1; cOC; cnc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Quinolines and derivatives
ClassyFire Subclass: Benzoquinolines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids
Synonymous chemical names:n-norchelerythrine, norchelerythrine
External chemical identifiers:CID:443719; ChEMBL:CHEMBL1182694; ChEBI:31917; MolPort-044-754-150
Chemical structure download