3-Methyl-1-[4-(2-pyridin-3-yl-1,3-oxazol-5-yl)phenoxy]butane-2,3-diol
| Internal ID | 101e0fa9-1a55-43e3-829d-1cb72300a24b |
| Taxonomy | Organoheterocyclic compounds > Azoles > Oxazoles > Phenyl-1,3-oxazoles |
| IUPAC Name | 3-methyl-1-[4-(2-pyridin-3-yl-1,3-oxazol-5-yl)phenoxy]butane-2,3-diol |
| SMILES (Canonical) | CC(C)(C(COC1=CC=C(C=C1)C2=CN=C(O2)C3=CN=CC=C3)O)O |
| SMILES (Isomeric) | CC(C)(C(COC1=CC=C(C=C1)C2=CN=C(O2)C3=CN=CC=C3)O)O |
| InChI | InChI=1S/C19H20N2O4/c1-19(2,23)17(22)12-24-15-7-5-13(6-8-15)16-11-21-18(25-16)14-4-3-9-20-10-14/h3-11,17,22-23H,12H2,1-2H3 |
| InChI Key | NVCSGIZATKCZKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20N2O4 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.14230712 g/mol |
| Topological Polar Surface Area (TPSA) | 88.60 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 3-Methyl-1-[4-(2-pyridin-3-yl-1,3-oxazol-5-yl)phenoxy]butane-2,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/3-methyl-1-4-2-pyridin-3-yl-13-oxazol-5-ylphenoxybutane-23-diol.jpg "2D Structure of 3-Methyl-1-[4-(2-pyridin-3-yl-1,3-oxazol-5-yl)phenoxy]butane-2,3-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.27% | 94.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 95.82% | 93.65% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.66% | 98.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 94.41% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.49% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.77% | 86.33% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 90.62% | 91.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.16% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.70% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.81% | 85.14% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 88.36% | 97.53% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.69% | 100.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.62% | 92.51% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.00% | 99.15% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.55% | 92.29% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.98% | 95.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.04% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.71% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.71% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.27% | 91.11% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.96% | 96.25% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.70% | 93.81% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 80.44% | 92.86% |
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.
| Halfordia kendack |
| PubChem | 15559612 |
| LOTUS | LTS0060910 |
| wikiData | Q105186164 |