1-(4,5-dimethoxy-2-nitrobenzoyl)-6,7-dimethoxyisoquinoline
AlkaPlorer ID: AK584106
Synonym: None
IUPAC Name: (6,7-dimethoxyisoquinolin-1-yl)-(4,5-dimethoxy-2-nitrophenyl)methanone
Structure
SMILES: COC1=C(OC)C=C([N+](=O)[O-])C(C(=O)C2=NC=CC3=CC(OC)=C(OC)C=C23)=C1
InChI: InChI=1S/C20H18N2O7/c1-26-15-7-11-5-6-21-19(12(11)8-16(15)27-2)20(23)13-9-17(28-3)18(29-4)10-14(13)22(24)25/h5-10H,1-4H3
InChIKey: YQHPOSDABMOWAK-UHFFFAOYSA-N
Reference
Oligosaccharides and glycoconjugates in human milk: Their role in host defense
PubChem CID: 286873
CAS: 20323-72-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 398.37100000000015
TPSA？: 110.02
MolLogP？: 3.408400000000002
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Ferritin light chain | Potency | 14125.4 | nM | None |
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 281.2 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 16353.5 | nM | None |
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 28183.8 | nM | None |
| Homo sapiens | Caspase-3 | IC50 | 31900.0 | nM | None |
| Homo sapiens | Caspase-3 | IC50 | 99000.0 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 100000.0 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 6309.6 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 12589.3 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 44668.4 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase NSD2 | AC50 | 20000.0 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 28183.8 | nM | None |
| Homo sapiens | microRNA 21 | Potency | 14689.2 | nM | None |
| Homo sapiens | Muscleblind-like protein 1 | Potency | 31622.8 | nM | None |
| Homo sapiens | Prelamin-A/C | Potency | 3981.1 | nM | None |
| Homo sapiens | Sentrin-specific protease 6 | IC50 | 936.0 | nM | None |
| Homo sapiens | Sentrin-specific protease 6 | IC50 | 66800.0 | nM | None |
| Homo sapiens | Sentrin-specific protease 7 | IC50 | 2930.0 | nM | None |
| Homo sapiens | Sentrin-specific protease 7 | IC50 | 24600.0 | nM | None |
| Homo sapiens | Sentrin-specific protease 8 | IC50 | 535.0 | nM | None |
| Homo sapiens | Sentrin-specific protease 8 | IC50 | 4970.0 | nM | None |
| Homo sapiens | Sentrin-specific protease 8 | IC50 | 5000.0 | nM | None |
| Homo sapiens | Sentrin-specific protease 8 | IC50 | 14800.0 | nM | None |
| Homo sapiens | Sentrin-specific protease 8 | IC50 | 99000.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 2 | IC50 | 128306.0 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 794.3 | nM | None |
| Mycobacterium tuberculosis | Protein RecA | EC50 | 160.0 | nM | None |
| Mycobacterium tuberculosis | Replicative DNA helicase | AC50 | 272.6 | nM | None |
| Mycobacterium tuberculosis | Replicative DNA helicase | AC50 | 18320.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 5221.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 11689.1 | nM | None |
| None | Unchecked | IC50 | 1053.0 | nM | None |
| None | Unchecked | IC50 | 4040.0 | nM | None |
| None | Unchecked | Potency | 10000.0 | nM | None |