(2R,3R)-2-[(E)-but-2-en-2-yl]-3-(hydroxymethyl)-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one
| Internal ID | 52776009-bf56-4513-86e7-fe75d1c4164f |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Phenylpyridines |
| IUPAC Name | (2R,3R)-2-[(E)-but-2-en-2-yl]-3-(hydroxymethyl)-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H21NO3/c1-4-12(2)17-19(3,11-21)15-16(23-17)14(10-20-18(15)22)13-8-6-5-7-9-13/h4-10,17,21H,11H2,1-3H3,(H,20,22)/b12-4+/t17-,19+/m1/s1 |
| InChI Key | JQFNAPFLERTHQU-YVAGWEIQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H21NO3 |
| Molecular Weight | 311.40 g/mol |
| Exact Mass | 311.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-2-[(E)-but-2-en-2-yl]-3-(hydroxymethyl)-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/fdda9b60-8400-11ee-b8b4-8dde07e72c5f.jpg "2D Structure of (2R,3R)-2-[(E)-but-2-en-2-yl]-3-(hydroxymethyl)-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.31% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.93% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.15% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.05% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.32% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.12% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.56% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.51% | 89.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 85.51% | 83.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.92% | 94.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.10% | 91.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.97% | 97.79% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.95% | 95.83% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.25% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 69960519 |
| LOTUS | LTS0199246 |
| wikiData | Q105133462 |