Summary
IMPPAT Phytochemical identifier: IMPHY001876
Phytochemical name: Oxymatrine
Synonymous chemical names:matrine n-oxide, oxymatrine
External chemical identifiers:CID:114850, ChEMBL:CHEMBL458337, ChEBI:2672, ZINC:ZINC000003881804, SureChEMBL:SCHEMBL13394285, MolPort-016-633-335
Chemical structure information
SMILES:
O=C1CCC[C@H]2N1C[C@@H]1CCC[N+]3([C@@H]1[C@@H]2CCC3)[O-]InChI:
InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1InChIKey:
XVPBINOPNYFXID-LHDUFFHYSA-NDeepSMILES:
O=CCCC[C@H]N6C[C@@H]CCC[N+][C@@H]6[C@@H]%10CCC6)))))[O-]Functional groups:
CC(=O)N(C)C, C[N+](C)(C)[O-]
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CCCC2C3CCC[NH+]4CCCC(CN12)C34Scaffold Graph/Node level:
OC1CCCC2C3CCCN4CCCC(CN12)C34Scaffold Graph level:
CC1CCCC2C1CC1CCCC3CCCC2C31
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Lupin alkaloids
ClassyFire Subclass: Matrine alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Lysine alkaloids
NP Classifier Class: Quinolizidine alkaloids
NP-Likeness score: 1.628
Chemical structure download
