IMPPAT Phytochemical information:
Evorine
Summary
IMPPAT Phytochemical identifier: IMPHY002254
Phytochemical name: Evorine
Synonymous chemical names:evorine
External chemical identifiers:CID:101288255
Chemical structure information
SMILES:
CC(=O)OC[C@@]12[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3[C@]([C@@]42O[C@](C(C(=O)[C@H]1OC(=O)C)[C@H]4O)(C)COC(=O)c1c([C@H]([C@@H](C(=O)O3)C)C)nccc1)(C)OInChI:
InChI=1S/C34H41NO16/c1-14-15(2)29(42)50-27-24(47-17(4)37)28(49-19(6)39)33(13-45-16(3)36)26(48-18(5)38)23(40)21-25(41)34(33,32(27,8)44)51-31(21,7)12-46-30(43)20-10-9-11-35-22(14)20/h9-11,14-15,21,24-28,41,44H,12-13H2,1-8H3/t14-,15-,21?,24+,25+,26+,27-,28+,31+,32-,33-,34-/m0/s1InChIKey:
GARAEILXWIXANX-JSIPNFJXSA-NDeepSMILES:
CC=O)OC[C@][C@H]OC=O)C)))[C@H]OC=O)C)))[C@H][C@][C@]6O[C@]CC=O)[C@H]%11OC=O)C)))))[C@H]5O)))C)COC=O)cc[C@H][C@@H]C=O)O%14))C))C))nccc6))))))))))))C)OFunctional groups:
CC(=O)OC, CC(C)=O, CO, COC, COC(C)=O, cC(=O)OC, cnc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CCc2ncccc2C(=O)OCC2OC34CC(CCC3CC(=O)C2C4)O1Scaffold Graph/Node level:
OC1CCC2NCCCC2C(O)OCC2OC34CC(CCC3CC(O)C2C4)O1Scaffold Graph level:
CC1CCC2CCCCC2C(C)CCC2CC34CC(CCC3CC(C)C2C4)C1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesNP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Nicotinic acid alkaloids
NP Classifier Class: Pyridine alkaloids
NP-Likeness score: 2.205
Chemical structure download