Summary
IMPPAT Phytochemical identifier: IMPHY011587
Phytochemical name: Sparteine
Synonymous chemical names:(-)-sparteine, sparteine
External chemical identifiers:CID:644020, ChEMBL:CHEMBL1908847, ChEBI:28827, ZINC:ZINC000001408502, FDASRS:298897D62S, SureChEMBL:SCHEMBL79043, MolPort-003-987-414
Chemical structure information
SMILES:
C1CC[C@@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2InChI:
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1InChIKey:
SLRCCWJSBJZJBV-ZQDZILKHSA-NDeepSMILES:
CCC[C@@H]NC6)C[C@@H]C[C@H]6CN[C@@H]6CCCC6Functional groups:
CN(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCN2CC3CC(CN4CCCCC34)C2C1Scaffold Graph/Node level:
C1CCN2CC3CC(CN4CCCCC34)C2C1Scaffold Graph level:
C1CCC2C(C1)CC1CC2CC2CCCCC21
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Lupin alkaloids
ClassyFire Subclass: Sparteine, lupanine, and related alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Lysine alkaloids
NP Classifier Class: Quinolizidine alkaloids
NP-Likeness score: 0.613
Chemical structure download