methyl (2S,3S)-3-[(5E)-5-benzylidene-4-hydroxy-2-oxofuran-3-yl]-2,3-diphenylpropanoate
| Internal ID | 6ffb7102-806d-4524-9d7d-bd468be50785 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | methyl (2S,3S)-3-[(5E)-5-benzylidene-4-hydroxy-2-oxofuran-3-yl]-2,3-diphenylpropanoate |
| SMILES (Canonical) | COC(=O)C(C1=CC=CC=C1)C(C2=CC=CC=C2)C3=C(C(=CC4=CC=CC=C4)OC3=O)O |
| SMILES (Isomeric) | COC(=O)[C@H](C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)C3=C(/C(=C\C4=CC=CC=C4)/OC3=O)O |
| InChI | InChI=1S/C27H22O5/c1-31-26(29)23(20-15-9-4-10-16-20)22(19-13-7-3-8-14-19)24-25(28)21(32-27(24)30)17-18-11-5-2-6-12-18/h2-17,22-23,28H,1H3/b21-17+/t22-,23-/m1/s1 |
| InChI Key | DFRUUMWSIQRNGP-VQZPCAEISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H22O5 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of methyl (2S,3S)-3-[(5E)-5-benzylidene-4-hydroxy-2-oxofuran-3-yl]-2,3-diphenylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2s3s-3-5e-5-benzylidene-4-hydroxy-2-oxofuran-3-yl-23-diphenylpropanoate.jpg "2D Structure of methyl (2S,3S)-3-[(5E)-5-benzylidene-4-hydroxy-2-oxofuran-3-yl]-2,3-diphenylpropanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.30% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.44% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.42% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.41% | 98.95% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 91.01% | 94.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.47% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.90% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.78% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.11% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.74% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.73% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.56% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.30% | 94.62% |
| CHEMBL5028 | O14672 | ADAM10 | 81.24% | 97.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.28% | 96.00% |
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.
| There are no matching plants. |
| PubChem | 163069245 |
| LOTUS | LTS0194875 |
| wikiData | Q104978257 |