None
AlkaPlorer ID: AK323170
Synonym: None
IUPAC Name: 1-[[4-hydroxy-3-[5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Structure
SMILES: COC1=C(O)C=C2C(=C1)CCN(C)C2CC1=CC=C(O)C(OC2=CC(CC3C4=CC(O)=C(OC)C=C4CCN3C)=CC=C2OC)=C1
InChI: InChI=1S/C37H42N2O7/c1-38-12-10-24-18-34(44-4)31(41)20-26(24)28(38)14-22-6-8-30(40)36(16-22)46-37-17-23(7-9-33(37)43-3)15-29-27-21-32(42)35(45-5)19-25(27)11-13-39(29)2/h6-9,16-21,28-29,40-42H,10-15H2,1-5H3
InChIKey: CDAADIWFPFZNRU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis vulgaris | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 626.7500000000001
TPSA？: 104.09000000000002
MolLogP？: 6.164900000000008
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | IC50 | 66000.0 | nM | 10.1021/acs.jnatprod.8b00592 |
| Homo sapiens | Butyrylcholinesterase | IC50 | 6900.0 | nM | 10.1021/acs.jnatprod.8b00592 |
| Homo sapiens | Glycogen synthase kinase-3 beta | Inhibition | nan | % | 10.1021/acs.jnatprod.8b00592 |
| Homo sapiens | Prolyl endopeptidase | IC50 | nan | None | 10.1021/acs.jnatprod.8b00592 |
| None | No relevant target | permeability | nan | None | 10.1021/acs.jnatprod.8b00592 |
| None | Unchecked | Ratio IC50 | 0.1 | None | 10.1021/acs.jnatprod.8b00592 |