16-[(1-Methoxy-1-oxopropan-2-yl)amino]-16-oxohexadec-7-enoic acid
| Internal ID | d0315242-6cde-493c-82c4-a2222c7d9a58 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 16-[(1-methoxy-1-oxopropan-2-yl)amino]-16-oxohexadec-7-enoic acid |
| SMILES (Canonical) | CC(C(=O)OC)NC(=O)CCCCCCCC=CCCCCCC(=O)O |
| SMILES (Isomeric) | CC(C(=O)OC)NC(=O)CCCCCCCC=CCCCCCC(=O)O |
| InChI | InChI=1S/C20H35NO5/c1-17(20(25)26-2)21-18(22)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19(23)24/h4,6,17H,3,5,7-16H2,1-2H3,(H,21,22)(H,23,24) |
| InChI Key | JHECJXSLIKXCBD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H35NO5 |
| Molecular Weight | 369.50 g/mol |
| Exact Mass | 369.25152322 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 16-[(1-Methoxy-1-oxopropan-2-yl)amino]-16-oxohexadec-7-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/16-1-methoxy-1-oxopropan-2-ylamino-16-oxohexadec-7-enoic-acid.jpg "2D Structure of 16-[(1-Methoxy-1-oxopropan-2-yl)amino]-16-oxohexadec-7-enoic 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.73% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.51% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.83% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.98% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.73% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.44% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.37% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.32% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.45% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.69% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.50% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.44% | 83.82% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.43% | 97.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.33% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.79% | 94.33% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 82.07% | 92.26% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.90% | 95.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162815738 |
| LOTUS | LTS0124568 |
| wikiData | Q104169531 |