Thaicanine; (S)-form, Me ether, N-Me 

AlkaPlorer ID: AK315696

Synonym: N,O-Dimethylthaicanine 

IUPAC Name: 2,3,4,9,10-pentamethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium

Structure

SMILES: COC1=CC=C2CC3C4=CC(OC)=C(OC)C(OC)=C4CC[N+]3(C)CC2=C1OC

copy

InChI: InChI=1S/C23H30NO5/c1-24-10-9-15-16(12-20(26-3)23(29-6)22(15)28-5)18(24)11-14-7-8-19(25-2)21(27-4)17(14)13-24/h7-8,12,18H,9-11,13H2,1-6H3/q+1

copy

InChIKey: PDGYMSFJKOUKSG-UHFFFAOYSA-N

copy

Source

Properties Information

Molecule Weight: 400.4950000000002

TPSA: 46.150000000000006

MolLogP: 3.5297000000000027

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information