Summary
SMILES: O=C1CCC[C@H]2N1C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2InChI: InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11-,12-,13+,14+/m0/s1InChIKey: JYIJIIVLEOETIQ-IGQOVBAYSA-N
DeepSMILES: O=CCCC[C@H]N6C[C@@H]C[C@H]6CN[C@@H]6CCCC6
Scaffold Graph/Node/Bond level: O=C1CCCC2C3CC(CN12)C1CCCCN1C3
Scaffold Graph/Node level: OC1CCCC2C3CC(CN12)C1CCCCN1C3
Scaffold Graph level: CC1CCCC2C3CC4CCCCC4C(C3)CC12
Functional groups: CC(=O)N(C)C; CN(C)C
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire 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
Synonymous chemical names:isolupanine, α-isolupanine
External chemical identifiers:CID:15939852; ZINC:ZINC000034773531; FDASRS:HC999LFL05
Chemical structure download