IMPPAT Phytochemical information:
Sophocarpine
Summary
IMPPAT Phytochemical identifier: IMPHY011129
Phytochemical name: Sophocarpine
Synonymous chemical names:sophocarpine
External chemical identifiers:CID:115269, ChEMBL:CHEMBL377725, ZINC:ZINC000003881784, MolPort-002-507-290
Chemical structure information
SMILES:
O=C1C=CC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3InChI:
InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1InChIKey:
AAGFPTSOPGCENQ-JLNYLFASSA-NDeepSMILES:
O=CC=CC[C@H]N6C[C@@H]CCCN[C@@H]6[C@@H]%10CCC6Functional groups:
CN(C)C, CN1CCC=CC1=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1C=CCC2C3CCCN4CCCC(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: 1.982
Chemical structure download