Summary
IMPPAT Phytochemical identifier: IMPHY015124
Phytochemical name: (+)-11-Isolupanine
Synonymous chemical names:isolupanine, α-isolupanine
External chemical identifiers:CID:15939852, ZINC:ZINC000034773531, FDASRS:HC999LFL05
Chemical structure information
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-NDeepSMILES:
O=CCCC[C@H]N6C[C@@H]C[C@H]6CN[C@@H]6CCCC6Functional groups:
CC(=O)N(C)C, CN(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CCCC2C3CC(CN12)C1CCCCN1C3Scaffold Graph/Node level:
OC1CCCC2C3CC(CN12)C1CCCCN1C3Scaffold Graph level:
CC1CCCC2C3CC4CCCCC4C(C3)CC12
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: 0.932
Chemical structure download