11-[5-(3-Carboxybutanoylcarbamoyl)-4-oxopyran-2-yl]undec-10-enoic acid
| Internal ID | d48823b1-1af2-4144-b010-a6c22f7d7b35 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 11-[5-(3-carboxybutanoylcarbamoyl)-4-oxopyran-2-yl]undec-10-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H29NO8/c1-15(22(29)30)12-19(25)23-21(28)17-14-31-16(13-18(17)24)10-8-6-4-2-3-5-7-9-11-20(26)27/h8,10,13-15H,2-7,9,11-12H2,1H3,(H,26,27)(H,29,30)(H,23,25,28) |
| InChI Key | OKGLROPOZIVCCZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H29NO8 |
| Molecular Weight | 435.50 g/mol |
| Exact Mass | 435.18931688 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 11-[5-(3-Carboxybutanoylcarbamoyl)-4-oxopyran-2-yl]undec-10-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/11-5-3-carboxybutanoylcarbamoyl-4-oxopyran-2-ylundec-10-enoic-acid.jpg "2D Structure of 11-[5-(3-Carboxybutanoylcarbamoyl)-4-oxopyran-2-yl]undec-10-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.98% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.28% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.89% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.02% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.79% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.05% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.57% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.63% | 96.00% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 87.83% | 92.26% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.84% | 97.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.67% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.33% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.91% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.81% | 95.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.58% | 93.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 82.96% | 87.67% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.17% | 80.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.97% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.16% | 93.56% |
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 | 73096374 |
| LOTUS | LTS0220993 |
| wikiData | Q104193448 |