(-)-Secohomoaromoline

AlkaPlorer ID: AK079962

Synonym: 'Secohomoaromoline'

IUPAC Name: 3-[4-[[(1S)-7-hydroxy-6-methoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxybenzaldehyde

Structure

SMILES: COC1=CC=C(C=O)C=C1OC1=CC=C(C[C@H]2C3=C(OC4=CC5=C(C=C4OC)CCN(C)C5=O)C(O)=C(OC)C=C3CCN2C)C=C1

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InChI: InChI=1S/C37H38N2O8/c1-38-14-13-25-19-33(45-5)35(41)36(47-32-20-27-24(18-30(32)44-4)12-15-39(2)37(27)42)34(25)28(38)16-22-6-9-26(10-7-22)46-31-17-23(21-40)8-11-29(31)43-3/h6-11,17-21,28,41H,12-16H2,1-5H3/t28-/m0/s1

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InChIKey: INEHILOTTXCDRL-NDEPHWFRSA-N

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Source

Properties Information

Molecule Weight: 638.7170000000001

TPSA: 107.0

MolLogP: 6.214900000000007

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information