Summary
SMILES: COc1cc2c(cc1OC)c1cc(OC)c(cc1c1c2cc2CCC[n+]2c1)OCInChI: InChI=1S/C24H24NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h8-13H,5-7H2,1-4H3/q+1InChIKey: LJKFGEXLZSHJSE-UHFFFAOYSA-N
DeepSMILES: COcccccc6OC))))cccOC))ccc6cc%10ccCCC[n+]5c9)))))))))))OC
Scaffold Graph/Node/Bond level: c1ccc2c(c1)c1ccccc1c1c[n+]3c(cc21)CCC3
Scaffold Graph/Node level: C1CCC2C(C1)C1CCCCC1C1CN3CCCC3CC21
Scaffold Graph level: C1CC2CC3C4CCCCC4C4CCCCC4C3CC2C1
Functional groups: cOC; c[n+](c)C
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: Aporphine alkaloids
Synonymous chemical names:dehydrotylophorine, phenanthroindolizidine
External chemical identifiers:CID:11583623; ZINC:ZINC000013360263; SureChEMBL:SCHEMBL13222742
Chemical structure download