4-(3-{[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzaldehyde
AlkaPlorer ID: AK251760
Synonym: None
IUPAC Name: 4-[3-[[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,6-dimethoxyphenoxy]benzaldehyde
Structure
SMILES: COC1=CC2=C(C=C1OC1=C3C(=CC(OC)=C1OC)CCN(C)[C@H]3CC1=CC=C(OC)C(OC3=CC=C(C=O)C=C3)=C1OC)C(=O)N(C)CC2
InChI: InChI=1S/C39H42N2O9/c1-40-16-15-25-20-33(46-5)36(48-7)38(50-32-21-28-24(19-31(32)45-4)14-17-41(2)39(28)43)34(25)29(40)18-26-10-13-30(44-3)37(35(26)47-6)49-27-11-8-23(22-42)9-12-27/h8-13,19-22,29H,14-18H2,1-7H3/t29-/m0/s1
InChIKey: ZQLVAEPSMKKLKO-LJAQVGFWSA-N
Reference
Some Dimeric Benzylisoquinoline Alkaloids With an Unusual Oxygenation Pattern
PubChem CID: 102277973
LOTUS: LTS0033600
SuperNatural Ⅲ: SN0477545-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis microphylla | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 682.7700000000001
TPSA？: 105.23
MolLogP？: 6.526500000000008
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|