Summary
SMILES: C/C=C(C(=O)OC1N2CCCC[C@H]2C2CC1[C@H]1CCCC(=O)N1C2)/CInChI: InChI=1S/C20H30N2O3/c1-3-13(2)20(24)25-19-15-11-14(16-7-4-5-10-21(16)19)12-22-17(15)8-6-9-18(22)23/h3,14-17,19H,4-12H2,1-2H3/b13-3-/t14?,15?,16-,17+,19?/m0/s1InChIKey: ZCUSRGNNIWPAKJ-QTEIMWBUSA-N
DeepSMILES: C/C=CC=O)OCNCCCC[C@H]6CCC%10[C@H]CCCC=O)N6C%10)))))))))))))))))))/C
Scaffold Graph/Node/Bond level: O=C1CCCC2C3CC(CN12)C1CCCCN1C3
Scaffold Graph/Node level: OC1CCCC2C3CC(CN12)C1CCCCN1C3
Scaffold Graph level: CC1CCCC2C3CC4CCCCC4C(C3)CC12
Functional groups: C/C=C(/C)C(=O)OC(C)N(C)C; CC(=O)N(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:13-angeloyloxylupanine
External chemical identifiers:CID:6427211
Chemical structure download