Laudanosine

AlkaPlorer ID: AK005614

Synonym: '', 'L-Laudanosine', 'Laudanosine', 'MLS002634637', 'O-Methylcodamine', 'MLS000060551', 'L-(+)-Laudanosine', 'SMR000064381'

IUPAC Name: (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

Structure

SMILES: COC1=CC=C(C[C@@H]2C3=CC(OC)=C(OC)C=C3CCN2C)C=C1OC

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InChI: InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3/t17-/m1/s1

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InChIKey: KGPAYJZAMGEDIQ-QGZVFWFLSA-N

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Properties Information

Molecule Weight: 357.45000000000016

TPSA: 40.16

MolLogP: 3.492700000000003

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None Platelet Activity 81.2 % 10.1021/np960354x
None Platelet Activity 81.4 % 10.1021/np960354x
None Platelet Activity 92.2 % 10.1021/np960354x
None Platelet Activity 92.5 % 10.1021/np960354x

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011812 COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC.C[SAH]>>COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC 51548