Summary
SMILES: O=CN1CCc2c3ccccc3[nH]c2[C@@](CC(=O)C/C(=C1)/CC)(C(=O)OC)c1cc2c(cc1OC)N([C@@H]1[C@@]32CCN2[C@H]3[C@@](CC)(C=CC2)[C@H]([C@]1(O)C(=O)OC)OC(=O)C)CInChI: InChI=1S/C46H54N4O10/c1-8-28-21-29(53)24-45(41(54)58-6,37-31(15-19-49(25-28)26-51)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)57-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(60-27(3)52)46(39,56)42(55)59-7/h10-14,16,22-23,25-26,38-40,47,56H,8-9,15,17-21,24H2,1-7H3/b28-25-/t38-,39+,40+,43+,44+,45-,46-/m0/s1InChIKey: KLFYPJRLOIHTCM-CIJHUGPSSA-N
DeepSMILES: O=CNCCccccccc6[nH]c9[C@@]CC=O)C/C=C%18)/CC))))))C=O)OC)))cccccc6OC))))N[C@@H][C@]5CCN[C@H]5[C@@]CC))C=CC6)))[C@H][C@]9O)C=O)OC))))OC=O)C)))))))))))C
Scaffold Graph/Node/Bond level: O=C1CC=CNCCc2c([nH]c3ccccc23)C(c2ccc3c(c2)C24CCN5CC=CC(CCC2N3)C54)C1
Scaffold Graph/Node level: OC1CCCNCCC2C3CCCCC3NC2C(C2CCC3NC4CCC5CCCN6CCC4(C3C2)C56)C1
Scaffold Graph level: CC1CCCCCCC2C3CCCCC3CC2C(C2CCC3CC4CCC5CCCC6CCC4(C3C2)C56)C1
Functional groups: C/C(C)=CN(C)C=O; CC(=O)OC; CC(C)=O; CC=CC; CN(C)C; CO; COC(C)=O; cN(C)C; cOC; c[nH]c
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
Synonymous chemical names:catharine
External chemical identifiers:CID:11953924; ChEBI:3470; ZINC:ZINC000095630246
Chemical structure download