Summary
SMILES: COc1ccc2c(-c3c(O)c(OC)cc4c3[C@H](C2)[N+](C)(C)CC4)c1O.[Cl-]InChI: InChI=1S/C20H23NO4.ClH/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18;/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23);1H/t13-;/m0./s1InChIKey: STVJLBTYWBXDBP-ZOWNYOTGSA-N
DeepSMILES: COccccc-ccO)cOC))ccc6[C@H]C%10)[N+]C)C)CC6))))))))))c6O.[Cl-]
Scaffold Graph/Node/Bond level: c1ccc2c(c1)CC1[NH2+]CCc3cccc-2c31
Scaffold Graph/Node level: C1CCC2C(C1)CC1NCCC3CCCC2C31
Scaffold Graph level: C1CCC2C(C1)CC1CCCC3CCCC2C31
Functional groups: C[N+](C)(C)C; [Cl-]; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Aporphines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids|Aporphine alkaloids
Synonymous chemical names:magnoflorine and its chloride, magnoflorine chloride, magnoflorinechloride
External chemical identifiers:CID:23149; ChEMBL:CHEMBL496685; MolPort-039-338-202
Chemical structure download