[1,3-Oxazol-5-yl-[4-(1,3,4,5-tetrahydroxyhexyl)-1,3-oxazol-2-yl]methyl] tridecanoate
| Internal ID | 89abc7f4-f415-4d24-9ea8-b17e30587fd8 |
| Taxonomy | Organoheterocyclic compounds > Azoles > Oxazoles > 2,4-disubstituted oxazoles |
| IUPAC Name | [1,3-oxazol-5-yl-[4-(1,3,4,5-tetrahydroxyhexyl)-1,3-oxazol-2-yl]methyl] tridecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCC(=O)OC(C1=CN=CO1)C2=NC(=CO2)C(CC(C(C(C)O)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCC(=O)OC(C1=CN=CO1)C2=NC(=CO2)C(CC(C(C(C)O)O)O)O |
| InChI | InChI=1S/C26H42N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-23(32)36-25(22-15-27-17-35-22)26-28-19(16-34-26)20(30)14-21(31)24(33)18(2)29/h15-18,20-21,24-25,29-31,33H,3-14H2,1-2H3 |
| InChI Key | YOIVNBDPUVQHEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H42N2O8 |
| Molecular Weight | 510.60 g/mol |
| Exact Mass | 510.29411630 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | 4.00 |
| NSC652603 |
| NSC-652603 |
| NCI60_018420 |
![2D Structure of [1,3-Oxazol-5-yl-[4-(1,3,4,5-tetrahydroxyhexyl)-1,3-oxazol-2-yl]methyl] tridecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/13-oxazol-5-yl-4-1345-tetrahydroxyhexyl-13-oxazol-2-ylmethyl-tridecanoate.jpg "2D Structure of [1,3-Oxazol-5-yl-[4-(1,3,4,5-tetrahydroxyhexyl)-1,3-oxazol-2-yl]methyl] tridecanoate")
| 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 | 97.62% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.02% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.35% | 96.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 91.36% | 92.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.34% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.99% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.62% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.14% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.81% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.29% | 89.63% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.29% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.90% | 87.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.54% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.51% | 93.65% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.83% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.77% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.21% | 97.29% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.49% | 90.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.44% | 97.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 374628 |
| LOTUS | LTS0179949 |
| wikiData | Q105092461 |