Summary
SMILES: COC1=C[C@@]23CCN[C@@H](C2=CC1=O)Cc1c3cc(OC)c(c1)OInChI: InChI=1S/C18H19NO4/c1-22-16-8-11-10(6-14(16)20)5-13-12-7-15(21)17(23-2)9-18(11,12)3-4-19-13/h6-9,13,19-20H,3-5H2,1-2H3/t13-,18-/m1/s1InChIKey: UAILJXHNUWQNKQ-FZKQIMNGSA-N
DeepSMILES: COC=C[C@@]CCN[C@@H]C6=CC%10=O))))Ccc8ccOC))cc6)O
Scaffold Graph/Node/Bond level: O=C1C=CC23CCNC(Cc4ccccc42)C3=C1
Scaffold Graph/Node level: OC1CCC23CCNC(CC4CCCCC42)C3C1
Scaffold Graph level: CC1CCC23CCCC(CC4CCCCC42)C3C1
Functional groups: CNC; COC1=CCC(C)=CC1=O; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: BenzenoidsClassyFire Class: Phenanthrenes and derivatives
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids|Morphinan alkaloids
Synonymous chemical names:norpallidine
External chemical identifiers:CID:101316818; ZINC:ZINC000015216576
Chemical structure download