Legonoxamine B
| Internal ID | ab03d1de-f2e5-41fc-8e7a-5e3b1ecfea84 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenylacetamides |
| IUPAC Name | 4-[5-[hydroxy-(2-phenylacetyl)amino]pentylamino]-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H24N2O5/c20-15(9-10-17(22)23)18-11-5-2-6-12-19(24)16(21)13-14-7-3-1-4-8-14/h1,3-4,7-8,24H,2,5-6,9-13H2,(H,18,20)(H,22,23) |
| InChI Key | RYSQYERCEFGENH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H24N2O5 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.06% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.97% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.08% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.70% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.95% | 96.09% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 91.02% | 93.81% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.75% | 90.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.02% | 91.11% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.62% | 85.31% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.62% | 97.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.81% | 94.73% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 85.35% | 96.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.65% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.02% | 95.50% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.16% | 93.04% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 81.15% | 98.89% |
| CHEMBL5028 | O14672 | ADAM10 | 80.72% | 97.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.11% | 90.24% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 146682102 |
| LOTUS | LTS0053820 |
| wikiData | Q105248117 |