Summary
IMPPAT Phytochemical identifier: IMPHY000969
Phytochemical name: Akuammicine
Synonymous chemical names:akuammicine
External chemical identifiers:CID:441976
Chemical structure information
SMILES:
COC(=O)C1=C2Nc3c([C@@]42[C@@H]2C[C@H]1C(=CC)CN2CC4)cccc3InChI:
InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/t13-,16-,20+/m0/s1InChIKey:
AGZMFTKKLPHOMT-ZSOFBXJNSA-NDeepSMILES:
COC=O)C=CNcc[C@]5[C@@H]C[C@H]9C=CC))CN6CC9)))))))))cccc6Functional groups:
CC=C(C)C, CN(C)C, cNC(C)=C(C)C(=O)OC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CN2CCC34C(=CC1CC23)Nc1ccccc14Scaffold Graph/Node level:
CC1CN2CCC34C(CC1CC23)NC1CCCCC14Scaffold Graph level:
CC1CC2CCC34C(CC1CC23)CC1CCCCC14
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Strychnos alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Corynanthe type, Strychnos type
NP-Likeness score: 2.145
Chemical structure download
