3-(4-{[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}phenoxy)-4-methoxybenzaldehyde

AlkaPlorer ID: AK217855

Synonym: None

IUPAC Name: 3-[4-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxybenzaldehyde

Structure

SMILES: COC1=CC2=C(C=C1O)[C@@H](CC1=CC=C(OC3=CC(C=O)=CC=C3OC)C=C1)N(C)CC2

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InChI: InChI=1S/C26H27NO5/c1-27-11-10-19-14-25(31-3)23(29)15-21(19)22(27)12-17-4-7-20(8-5-17)32-26-13-18(16-28)6-9-24(26)30-2/h4-9,13-16,22,29H,10-12H2,1-3H3/t22-/m1/s1

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InChIKey: AMDIMVKHIRHMMH-JOCHJYFZSA-N

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Source

Properties Information

Molecule Weight: 433.5040000000002

TPSA: 68.22999999999999

MolLogP: 4.785900000000005

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information