N-Homoveratroylhomoveratrylamine
AlkaPlorer ID: AK049055
Synonym: N-[2-(3,4-Dimethoxyphenyl)ethyl]-3,4-dimethoxybenzeneacetamide
IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Structure
SMILES: COC1=CC=C(CCNC(=O)CC2=CC=C(OC)C(OC)=C2)C=C1OC
InChI: InChI=1S/C20H25NO5/c1-23-16-7-5-14(11-18(16)25-3)9-10-21-20(22)13-15-6-8-17(24-2)19(12-15)26-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,21,22)
InChIKey: KDIKNBJFJOYFNY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pleiospermium alatum | Pleiospermium | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.42200000000014
TPSA？: 66.02000000000001
MolLogP？: 2.6224000000000007
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | nan | None | 10.1007/s00044-008-9122-3 |
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 5.7 | % | 10.1007/s00044-008-9122-3 |
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 5.9 | % | 10.1007/s00044-008-9122-3 |
| Equus caballus | Cholinesterase | Inhibition | 0.0 | % | 10.1007/s00044-008-9122-3 |
| Equus caballus | Cholinesterase | Inhibition | 1.7 | % | 10.1007/s00044-008-9122-3 |
| Homo sapiens | 786-0 | GI50 | 100000.0 | nM | 10.1016/j.bmcl.2013.09.014 |
| Homo sapiens | BXPC-3 | GI50 | 100000.0 | nM | 10.1016/j.bmcl.2013.09.014 |
| Homo sapiens | Geminin | Potency | 730.8 | nM | None |
| Homo sapiens | GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 | Potency | 11220.2 | nM | None |
| Homo sapiens | HeLa | GI50 | 100000.0 | nM | 10.1016/j.bmcl.2013.09.014 |
| Homo sapiens | T47D | GI50 | 100000.0 | nM | 10.1016/j.bmcl.2013.09.014 |
| Homo sapiens | T98G | GI50 | 100000.0 | nM | 10.1016/j.bmcl.2013.09.014 |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 6513.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 9200.0 | nM | None |
| Human immunodeficiency virus 1 | Aberrant vpr protein | Potency | 7079.5 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 657.3 | nM | None |
| None | NON-PROTEIN TARGET | GI50 | 100000.0 | nM | 10.1016/j.bmcl.2013.09.014 |