Summary
SMILES: CC(=O)OC[C@]12[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]3[C@]([C@@]42O[C@@]([C@@H](C(=O)[C@H]1OC(=O)C)[C@H]4OC(=O)C)(C)COC(=O)c1cccnc1CC[C@@H](C(=O)O3)C)(C)OInChI: InChI=1S/C36H43NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(43)28(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(49-18(3)39)29(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24,26-30,46H,11-12,14-15H2,1-8H3/t16-,24-,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1InChIKey: QFMYKKJPSVFBKJ-BGOPWFHYSA-N
DeepSMILES: CC=O)OC[C@@][C@@H]OC=O)C)))[C@@H]OC=O)C)))[C@H][C@][C@]6O[C@@][C@@H]C=O)[C@H]%11OC=O)C)))))[C@H]5OC=O)C)))))C)COC=O)ccccnc6CC[C@@H]C=O)O%19))C))))))))))))))))C)O
Scaffold Graph/Node/Bond level: O=C1CCCc2ncccc2C(=O)OCC2OC34CC(CCC3CC(=O)C2C4)O1
Scaffold Graph/Node level: OC1CCCC2NCCCC2C(O)OCC2OC34CC(CCC3CC(O)C2C4)O1
Scaffold Graph level: CC1CCCC2CCCCC2C(C)CCC2CC34CC(CCC3CC(C)C2C4)C1
Functional groups: CC(=O)OC; CC(C)=O; CO; COC; COC(C)=O; cC(=O)OC; cnc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Terpene lactones
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Nicotinic acid alkaloids
NP Classifier Class: Pyridine alkaloids
Synonymous chemical names:evonimine
External chemical identifiers:CID:9548845; ChEBI:35947; ZINC:ZINC000257371411
Chemical structure download