N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methyl-2-oxochromen-7-yl)oxy]acetamide
AlkaPlorer ID: AK124788
Synonym: None
IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
Structure
SMILES: COC1=CC=C(CCNC(=O)COC2=CC=C3C(C)=CC(=O)OC3=C2)C=C1OC
InChI: InChI=1S/C22H23NO6/c1-14-10-22(25)29-19-12-16(5-6-17(14)19)28-13-21(24)23-9-8-15-4-7-18(26-2)20(11-15)27-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,23,24)
InChIKey: JWBNVIYXZJOVGR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 397.4270000000002
TPSA？: 87.0
MolLogP？: 2.856320000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Chromobox protein homolog 1 | Potency | 11220.2 | nM | None |
| Homo sapiens | Eyes absent homolog 2 | Potency | 17782.8 | nM | None |
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 2511.9 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase MLL | Potency | 25118.9 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 16360.1 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 14581.0 | nM | None |
| Homo sapiens | Relaxin receptor 1 | Potency | 39810.7 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 12995.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 25929.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 29.4 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 2936.2 | nM | None |
| None | Unchecked | Potency | 18356.4 | nM | None |
| None | Unchecked | Potency | 22387.2 | nM | None |