Summary
SMILES: CON1c2ccccc2[C@@]2(C1=O)C[C@@H]1NC/C(=CC)/[C@@H]3C[C@H]2OC[C@H]13InChI: InChI=1S/C20H24N2O3/c1-3-12-10-21-16-9-20(18-8-13(12)14(16)11-25-18)15-6-4-5-7-17(15)22(24-2)19(20)23/h3-7,13-14,16,18,21H,8-11H2,1-2H3/b12-3+/t13-,14-,16-,18+,20-/m0/s1InChIKey: ZXRGGMATGWCUBP-MAXSUOQJSA-N
DeepSMILES: CONcccccc6[C@@]C9=O))C[C@@H]NC/C=CC))/[C@@H]C[C@H]9OC[C@H]%106
Scaffold Graph/Node/Bond level: C=C1CNC2CC3(C(=O)Nc4ccccc43)C3CC1C2CO3
Scaffold Graph/Node level: CC1CNC2CC3(C(O)NC4CCCCC43)C3CC1C2CO3
Scaffold Graph level: CC1CCC2CC3(C(C)CC4CCCCC43)C3CCC2C1C3
Functional groups: C/C=C(C)C; CNC; COC; cN(OC)C(C)=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Gelsemium alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Corynanthe type|Strychnos type
Synonymous chemical names:rankinidine
External chemical identifiers:CID:101855843; ChEMBL:CHEMBL3597666; ZINC:ZINC000238769485
Chemical structure download