Summary
SMILES: O=C(C(C)C)OC1CCN2[C@H](C1)[C@H]1C[C@H](C2)C2N(C1)C(=O)CCC2InChI: InChI=1S/C19H30N2O3/c1-12(2)19(23)24-15-6-7-20-10-13-8-14(17(20)9-15)11-21-16(13)4-3-5-18(21)22/h12-17H,3-11H2,1-2H3/t13-,14+,15?,16?,17-/m1/s1InChIKey: FOPGUSZPKIVDDA-RNONSGAXSA-N
DeepSMILES: O=CCC)C))OCCCN[C@H]C6)[C@H]C[C@H]C6)CNC6)C=O)CCC6
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; COC(C)=O
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-isobutyryloxylupanine
External chemical identifiers:CID:91749257
Chemical structure download