Sinomenine

AlkaPlorer ID: AK001976

Synonym: '', '14-Episinomenine', 'Cucoline', 'Kukoline', 'sinomenine', 'Sinomenine', 'MLSMR', 'Kukoline hydrochloride', 'MLS001360420', 'SMR001223871', 'Cucoline hydrochloride'

IUPAC Name: (1R,9S,10R)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one

Structure

SMILES: COC1=C[C@H]2[C@@H]3CC4=CC=C(OC)C(O)=C4[C@]2(CCN3C)CC1=O

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InChI: InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13-,19+/m0/s1

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InChIKey: INYYVPJSBIVGPH-WTOJCKNJSA-N

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Source

Properties Information

Molecule Weight: 329.39600000000013

TPSA: 59.0

MolLogP: 2.0181

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information