Summary
SMILES: O=C1CC[C@@H]2N1CCCC[C@@]12OC(=O)[C@H]([C@@H]1O)CInChI: InChI=1S/C13H19NO4/c1-8-11(16)13(18-12(8)17)6-2-3-7-14-9(13)4-5-10(14)15/h8-9,11,16H,2-7H2,1H3/t8-,9-,11-,13-/m0/s1InChIKey: FPBTZQXLGBERTH-PZEZNAACSA-N
DeepSMILES: O=CCC[C@@H]N5CCCC[C@]7OC=O)[C@H][C@@H]5O))C
Scaffold Graph/Node/Bond level: O=C1CCC2(CCCCN3C(=O)CCC32)O1
Scaffold Graph/Node level: OC1CCC2(CCCCN3C(O)CCC32)O1
Scaffold Graph level: CC1CCC2(CCCCC3C(C)CCC32)C1
Functional groups: CC(=O)N(C)C; CO; COC(C)=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Stemona alkaloids
ClassyFire Subclass: Tuberostemospironine-type alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Ornithine alkaloids
NP Classifier Class: Stemona alkaloids
Synonymous chemical names:tuberostemospironine
External chemical identifiers:CID:101449918; ZINC:ZINC000095919266
Chemical structure download