N-[1-[4-(2-cyanoethoxy)phenyl]-1,3-dihydroxypropan-2-yl]formamide
| Internal ID | e2033690-f2a4-4ada-9ad3-71996c773dc2 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | N-[1-[4-(2-cyanoethoxy)phenyl]-1,3-dihydroxypropan-2-yl]formamide |
| SMILES (Canonical) | C1=CC(=CC=C1C(C(CO)NC=O)O)OCCC#N |
| SMILES (Isomeric) | C1=CC(=CC=C1C(C(CO)NC=O)O)OCCC#N |
| InChI | InChI=1S/C13H16N2O4/c14-6-1-7-19-11-4-2-10(3-5-11)13(18)12(8-16)15-9-17/h2-5,9,12-13,16,18H,1,7-8H2,(H,15,17) |
| InChI Key | JJOCQIWGYDLOEN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H16N2O4 |
| Molecular Weight | 264.28 g/mol |
| Exact Mass | 264.11100700 g/mol |
| Topological Polar Surface Area (TPSA) | 103.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of N-[1-[4-(2-cyanoethoxy)phenyl]-1,3-dihydroxypropan-2-yl]formamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-1-4-2-cyanoethoxyphenyl-13-dihydroxypropan-2-ylformamide.jpg "2D Structure of N-[1-[4-(2-cyanoethoxy)phenyl]-1,3-dihydroxypropan-2-yl]formamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.38% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.27% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.95% | 99.17% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.45% | 92.51% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.86% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.24% | 94.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.96% | 90.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.73% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.45% | 94.73% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 86.85% | 94.97% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.98% | 98.95% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.93% | 89.67% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.58% | 96.12% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.50% | 98.75% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 82.66% | 93.81% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 81.12% | 96.47% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 80.76% | 89.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 14482530 |
| LOTUS | LTS0226894 |
| wikiData | Q105129779 |