methyl 5-[(E)-1,3-dimethoxy-3-oxoprop-1-enyl]-4-methoxyfuro[2,3-b]pyridine-6-carboxylate
| Internal ID | 2ba30de2-8359-4a76-b4e5-413162db6f9c |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxylic acids |
| IUPAC Name | methyl 5-[(E)-1,3-dimethoxy-3-oxoprop-1-enyl]-4-methoxyfuro[2,3-b]pyridine-6-carboxylate |
| SMILES (Canonical) | COC1=C2C=COC2=NC(=C1C(=CC(=O)OC)OC)C(=O)OC |
| SMILES (Isomeric) | COC1=C2C=COC2=NC(=C1/C(=C\C(=O)OC)/OC)C(=O)OC |
| InChI | InChI=1S/C15H15NO7/c1-19-9(7-10(17)20-2)11-12(15(18)22-4)16-14-8(5-6-23-14)13(11)21-3/h5-7H,1-4H3/b9-7+ |
| InChI Key | XJZTWYOCNSSOKU-VQHVLOKHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H15NO7 |
| Molecular Weight | 321.28 g/mol |
| Exact Mass | 321.08485182 g/mol |
| Topological Polar Surface Area (TPSA) | 97.10 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of methyl 5-[(E)-1,3-dimethoxy-3-oxoprop-1-enyl]-4-methoxyfuro[2,3-b]pyridine-6-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-5-e-13-dimethoxy-3-oxoprop-1-enyl-4-methoxyfuro23-bpyridine-6-carboxylate.jpg "2D Structure of methyl 5-[(E)-1,3-dimethoxy-3-oxoprop-1-enyl]-4-methoxyfuro[2,3-b]pyridine-6-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.05% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.47% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.24% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.25% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.06% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.05% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.79% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.55% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.53% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.02% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.40% | 99.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.31% | 96.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.45% | 86.33% |
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.
| Sarcomelicope megistophylla |
| PubChem | 9996159 |
| LOTUS | LTS0207429 |
| wikiData | Q105329362 |