Summary
IMPPAT Phytochemical identifier: IMPHY001153
Phytochemical name: Cytisine
Synonymous chemical names:cystisine, cytisine, sophorine
External chemical identifiers:CID:10235, ChEMBL:CHEMBL497939, ChEBI:4055, ZINC:ZINC000001599730, FDASRS:53S5U404NU, SureChEMBL:SCHEMBL161398, MolPort-000-880-972
Chemical structure information
SMILES:
O=c1cccc2n1C[C@@H]1CNC[C@H]2C1InChI:
InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1InChIKey:
ANJTVLIZGCUXLD-DTWKUNHWSA-NDeepSMILES:
O=cccccn6C[C@@H]CNC[C@H]8C6Functional groups:
CNC, c=O, cn(c)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1cccc2n1CC1CNCC2C1Scaffold Graph/Node level:
OC1CCCC2C3CNCC(C3)CN12Scaffold Graph level:
CC1CCCC2C3CCCC(C3)CC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Lupin alkaloids
ClassyFire Subclass: Cytisine and derivatives
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Lysine alkaloids, Nicotinic acid alkaloids
NP Classifier Class: Pyridine alkaloids, Quinolizidine alkaloids
NP-Likeness score: -0.211
Chemical structure download