Dubinidine

AlkaPlorer ID: AK004870

Synonym: 'SMR000137322', '', 'MLS001164025', '2-(4-methoxy-2,3-dihydrofuro2,3-bquinolin-2-yl)-1,2-propanediol', 'Dubinidine', 'MLS000532363'

IUPAC Name: (2R)-2-[(2R)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol

Structure

SMILES: COC1=C2C[C@H]([C@](C)(O)CO)OC2=NC2=CC=CC=C12

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InChI: InChI=1S/C15H17NO4/c1-15(18,8-17)12-7-10-13(19-2)9-5-3-4-6-11(9)16-14(10)20-12/h3-6,12,17-18H,7-8H2,1-2H3/t12-,15-/m1/s1

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InChIKey: NETGEQWGGLFVRL-IUODEOHRSA-N

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Source

Properties Information

Molecule Weight: 275.304

TPSA: 71.81

MolLogP: 1.2902

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information