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

AlkaPlorer ID: AK374666

Synonym: None

IUPAC Name: 1-[[4-[2-hydroxy-5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

Structure

SMILES: COC1=CC2=C(C=C1O)C(CC1=CC=C(OC3=CC(C[C@H]4C5=CC(O)=C(OC)C=C5CCN4C)=CC=C3O)C=C1)N(C)CC2

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InChI: InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29?,30-/m0/s1

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InChIKey: FDABVSXGAMFQQH-ZSXSBBPPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Abuta grandifolia Abuta Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 596.7240000000002

TPSA: 94.86

MolLogP: 6.156300000000007

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information