Mid0017: Mesembrine


Name
Mesembrine
IUPAC Name
(3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one
Molecular Formula
C17H23NO3
Molecular Weight
289.4
Exact Mass
289.1677936
SMILES
CN1CCC2(C1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC
InChIKey
DAHIQPJTGIHDGO-IRXDYDNUSA-N
InChI
InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m0/s1
Other Databases Link
kegg_C09224
knapsack_C00001749
Structure
Classification
Alkaloids
Crops containing this metabolite
maize
soy
cassava
wheat
Related MS2T Accessions