Summary
SMILES: CC[C@H]1C[C@H]2CN3[C@@H]1[C@](C2)(C(=O)OC)C1=Nc2c([C@]1(CC3)O)cccc2InChI: InChI=1S/C21H26N2O3/c1-3-14-10-13-11-20(19(24)26-2)17(14)23(12-13)9-8-21(25)15-6-4-5-7-16(15)22-18(20)21/h4-7,13-14,17,25H,3,8-12H2,1-2H3/t13-,14+,17+,20+,21+/m1/s1InChIKey: PEBWIYPIKTWOBT-VKOMNXFXSA-N
DeepSMILES: CC[C@H]C[C@H]CN[C@@H]6[C@]C6)C=O)OC)))C=Ncc[C@]5CC%10))O))cccc6
Scaffold Graph/Node/Bond level: c1ccc2c(c1)N=C1C2CCN2CC3CCC2C1C3
Scaffold Graph/Node level: C1CCC2C(C1)NC1C2CCN2CC3CCC2C1C3
Scaffold Graph level: C1CCC2C(C1)CC1C2CCC2CC3CCC2C1C3
Functional groups: CN(C)C; CO; COC(C)=O; cN=C(C)C
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Ibogan-type alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Iboga type
Synonymous chemical names:coronaridine hydroxyindolenine, coronaridine-hydroxyindolenine
External chemical identifiers:CID:101286287; ZINC:ZINC000238765648
Chemical structure download