2-[[14-[(1-Carboxy-2-methylbutyl)amino]-14-oxotetradeca-2,4,6,8,10,12-hexaenoyl]amino]butanedioic acid
| Internal ID | 6dd7dd1f-b24a-4663-a47a-75583ef02462 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Isoleucine and derivatives |
| IUPAC Name | 2-[[14-[(1-carboxy-2-methylbutyl)amino]-14-oxotetradeca-2,4,6,8,10,12-hexaenoyl]amino]butanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H30N2O8/c1-3-17(2)22(24(33)34)26-20(28)15-13-11-9-7-5-4-6-8-10-12-14-19(27)25-18(23(31)32)16-21(29)30/h4-15,17-18,22H,3,16H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,33,34) |
| InChI Key | UTCVZSMZWWEEHT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30N2O8 |
| Molecular Weight | 474.50 g/mol |
| Exact Mass | 474.20021592 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 2-[[14-[(1-Carboxy-2-methylbutyl)amino]-14-oxotetradeca-2,4,6,8,10,12-hexaenoyl]amino]butanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/0d17a990-860a-11ee-a761-47ed00385d9d.jpg "2D Structure of 2-[[14-[(1-Carboxy-2-methylbutyl)amino]-14-oxotetradeca-2,4,6,8,10,12-hexaenoyl]amino]butanedioic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.08% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.83% | 98.95% |
| CHEMBL3776 | Q14790 | Caspase-8 | 94.90% | 97.06% |
| CHEMBL4801 | P29466 | Caspase-1 | 92.01% | 96.85% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.94% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.75% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.58% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.54% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.15% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.12% | 89.34% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.83% | 96.47% |
| CHEMBL3308 | P55212 | Caspase-6 | 83.77% | 97.56% |
| CHEMBL2334 | P42574 | Caspase-3 | 81.85% | 98.25% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.72% | 90.20% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.83% | 100.00% |
| CHEMBL268 | P43235 | Cathepsin K | 80.82% | 96.85% |
| CHEMBL209 | P07477 | Trypsin I | 80.55% | 90.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.20% | 89.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162845061 |
| LOTUS | LTS0073918 |
| wikiData | Q104198868 |