Summary
IMPPAT Phytochemical identifier: IMPHY008677
Phytochemical name: Magnoflorine chloride
Synonymous chemical names:magnoflorine and its chloride, magnoflorine chloride, magnoflorinechloride
External chemical identifiers:CID:23149, ChEMBL:CHEMBL496685, MolPort-039-338-202
Chemical structure information
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-NDeepSMILES:
COccccc-ccO)cOC))ccc6[C@H]C%10)[N+]C)C)CC6))))))))))c6O.[Cl-]Functional groups:
C[N+](C)(C)C, [Cl-], cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1[NH2+]CCc3cccc-2c31Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Aporphines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Isoquinoline alkaloids, Aporphine alkaloids
NP-Likeness score: 1.86
Chemical structure download