Summary
SMILES: COC(=O)[C@]12CO[C@@]34[C@@]2(CCN2[C@H]3C[C@H]1/C(=CC)/C2)c1ccccc1N4CInChI: InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-21-15-7-5-6-8-17(15)23(2)22(21)18(24)11-16(14)20(21,13-27-22)19(25)26-3/h4-8,16,18H,9-13H2,1-3H3/b14-4-/t16-,18-,20-,21-,22+/m0/s1InChIKey: HAGBWVNSVWLTKY-ZFWLQQAWSA-N
DeepSMILES: COC=O)[C@@]CO[C@@][C@@]5CCN[C@H]6C[C@H]%11/C=CC))/C6))))))))cccccc6N9C
Scaffold Graph/Node/Bond level: C=C1CN2CCC34c5ccccc5NC35OCC4C1CC25
Scaffold Graph/Node level: CC1CN2CCC34C5CCCCC5NC35OCC4C1CC25
Scaffold Graph level: CC1CC2CCC34C5CCCCC5CC35CCC4C1CC25
Functional groups: C/C=C(/C)C; CN(C)C; COC(C)=O; cN(C)[C@](C)(C)OC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Corynanthean-type alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Corynanthe type
Synonymous chemical names:pseudo-akuammigine, pseudoakuammigine
External chemical identifiers:CID:90479136; ZINC:ZINC000033985290; FDASRS:674R7808HC
Chemical structure download