Summary
SMILES: COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H]4[C@@]1(CCN3C/C/2=C/C)c1ccccc1N4InChI: InChI=1S/C20H24N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)16(22)10-13(12)17(20)19(23)24-2/h3-7,13,16-18,21H,8-11H2,1-2H3/b12-3-/t13?,16-,17-,18-,20?/m0/s1InChIKey: UBWVEGSADBOAEC-TZZZHGQUSA-N
DeepSMILES: COC=O)[C@@H][C@H]C[C@H][C@H][C@@]6CCN6C/C/%10=C/C)))))))cccccc6N9
Scaffold Graph/Node/Bond level: C=C1CN2CCC34CC1CC2C3Nc1ccccc14
Scaffold Graph/Node level: CC1CN2CCC34CC1CC2C3NC1CCCCC14
Scaffold Graph level: CC1CC2CCC34CC1CC2C3CC1CCCCC14
Functional groups: C/C=C(/C)C; CN(C)C; COC(C)=O; cNC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Indoles and derivatives
ClassyFire Subclass: Pyridoindoles
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Corynanthe type|Strychnos type
Synonymous chemical names:cathafoline
External chemical identifiers:CID:101548614; ZINC:ZINC000238740564
Chemical structure download