Summary
SMILES: O=C[C@@H]1[C@@H]2C[C@@H]3N([C@H]1C)[C@@H]1[C@H]2[C@@H](OC(=O)C)[C@]2(C3=Nc3c2cccc3)C1InChI: InChI=1S/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3/t10-,12-,13-,16-,17-,18-,20+,21+/m0/s1InChIKey: GDXJMOGWONJRHL-AFXVYWMKSA-N
DeepSMILES: O=C[C@@H][C@@H]C[C@@H]N[C@H]6C))[C@@H][C@H]6[C@@H]OC=O)C)))[C@]C7=Ncc5cccc6))))))))C5
Scaffold Graph/Node/Bond level: c1ccc2c(c1)N=C1C3CC4CCN3C3CC12CC43
Scaffold Graph/Node level: C1CCC2C(C1)NC1C3CC4CCN3C3CC21CC43
Scaffold Graph level: C1CCC2C(C1)CC1C3CC4CCC3C3CC21CC43
Functional groups: CC(=O)OC; CC=O; CN(C)C; cN=C(C)C
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Ajmaline-sarpagine alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Corynanthe type
Synonymous chemical names:perakine
External chemical identifiers:CID:13579079; ZINC:ZINC000031997766
Chemical structure download