alpha-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-1-isoquinolinemethanol
AlkaPlorer ID: AK000054
Synonym: None
IUPAC Name: (6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanol
Structure
SMILES: COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)O)OC
InChI: InChI=1S/C20H21NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11,20,22H,1-4H3
InChIKey: JJZIJKXUHDFVGX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 355.3900000000001
TPSA？: 70.04
MolLogP？: 3.350900000000002
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | 10700.0 | nM | 10.1007/s00044-008-9122-3 |
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 15811.4 | nM | None |
| Homo sapiens | Acetylcholinesterase | IC50 | 10730.0 | nM | 10.1016/j.bmcl.2006.01.067 |
| Homo sapiens | Acetylcholinesterase | Inhibition | 45.5 | % | 10.1016/j.bmcl.2006.01.067 |
| Homo sapiens | Acetylcholinesterase | Inhibition | 88.7 | % | 10.1016/j.bmcl.2006.01.067 |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 5802.4 | nM | None |
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 56234.1 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 11220.2 | nM | None |
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 31622.8 | nM | None |
| Homo sapiens | HepG2 | Potency | 6309.6 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 3548.1 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 25118.9 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 20596.2 | nM | None |
| Homo sapiens | Parathyroid hormone receptor | Potency | 31622.8 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 7307.8 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 10322.5 | nM | None |
| Mycobacterium tuberculosis | Protein RecA | EC50 | 10700.0 | nM | None |
| Mycobacterium tuberculosis | Replicative DNA helicase | AC50 | 3561.0 | nM | None |
| Mycobacterium tuberculosis | Replicative DNA helicase | AC50 | 380000.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 657.3 | nM | None |
| None | Unchecked | Potency | 10000.0 | nM | None |
| None | Unchecked | Potency | 14125.4 | nM | None |
| None | Unchecked | Potency | 17782.8 | nM | None |