Summary
SMILES: COC(=O)C1(O)C(OC(=O)C)C2(CC)C=CCN3C2C2(C1N(C)c1c2cc(c(c1)OC)Cc1cc2c(cc1OC)N(C1C42CCN2C4C(CC)(C=CC2)C(C1(O)C(=O)OC)OC(=O)C)C)CC3InChI: InChI=1S/C51H64N4O12/c1-11-46-15-13-19-54-21-17-48(38(46)54)32-24-30(36(62-7)26-34(32)52(5)40(48)50(60,44(58)64-9)42(46)66-28(3)56)23-31-25-33-35(27-37(31)63-8)53(6)41-49(33)18-22-55-20-14-16-47(12-2,39(49)55)43(67-29(4)57)51(41,61)45(59)65-10/h13-16,24-27,38-43,60-61H,11-12,17-23H2,1-10H3InChIKey: GTYHMLPTHUKXMG-UHFFFAOYSA-N
DeepSMILES: COC=O)CO)COC=O)C)))CCC))C=CCNC6CC%10NC)cc5cccc6)OC)))Ccccccc6OC))))NCC5CCNC5CCC))C=CC6)))CC9O)C=O)OC))))OC=O)C)))))))))))C)))))))))))))CC5
Scaffold Graph/Node/Bond level: C1=CC2CCC3Nc4ccc(Cc5ccc6c(c5)C57CCN8CC=CC(CCC5N6)C87)cc4C34CCN(C1)C24
Scaffold Graph/Node level: C1CC2CCC3NC4CCC(CC5CCC6NC7CCC8CCCN9CCC7(C6C5)C89)CC4C34CCN(C1)C24
Scaffold Graph level: C1CC2CCC3CC4CCC(CC5CCC6CC7CCC8CCCC9CCC7(C6C5)C89)CC4C34CCC(C1)C24
Functional groups: CC=CC; CN(C)C; CO; COC(C)=O; cN(C)C; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Plumeran-type alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Aspidosperma type|Aspidosperma-Iboga hybrid type (Vinca alkaloids)
Synonymous chemical names:vindolicine
External chemical identifiers:CID:159614; MolPort-002-325-565
Chemical structure download