IMPPAT Phytochemical information:
Matrine
Summary
IMPPAT Phytochemical identifier: IMPHY004247
Phytochemical name: Matrine
Synonymous chemical names:matrine
External chemical identifiers:CID:91466, ChEMBL:CHEMBL204860, ChEBI:6700, ZINC:ZINC000002083329, FDASRS:N390W430AC, SureChEMBL:SCHEMBL177907, MolPort-002-517-366
Chemical structure information
SMILES:
O=C1CCC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3InChI:
InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1InChIKey:
ZSBXGIUJOOQZMP-JLNYLFASSA-NDeepSMILES:
O=CCCC[C@H]N6C[C@@H]CCCN[C@@H]6[C@@H]%10CCC6Functional groups:
CC(=O)N(C)C, CN(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CCCC2C3CCCN4CCCC(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: 1.171
Chemical structure download