Methyl 3-[2-(1-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
| Internal ID | e199265b-8288-4424-9df0-eb41523295c5 |
| Taxonomy | Organoheterocyclic compounds > Coumarans |
| IUPAC Name | methyl 3-[2-(1-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate |
| SMILES (Canonical) | CC(CO)C1CC2=C(O1)C=CC(=C2)C=CC(=O)OC |
| SMILES (Isomeric) | CC(CO)C1CC2=C(O1)C=CC(=C2)C=CC(=O)OC |
| InChI | InChI=1S/C15H18O4/c1-10(9-16)14-8-12-7-11(3-5-13(12)19-14)4-6-15(17)18-2/h3-7,10,14,16H,8-9H2,1-2H3 |
| InChI Key | DJDWOGSMWYWDBI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.30 g/mol |
| Exact Mass | 262.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of Methyl 3-[2-(1-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-3-2-1-hydroxypropan-2-yl-23-dihydro-1-benzofuran-5-ylprop-2-enoate.jpg "2D Structure of Methyl 3-[2-(1-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate")
| 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 | 97.23% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.89% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.11% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.67% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.57% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.88% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.72% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.41% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.91% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.20% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.33% | 89.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.55% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.25% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.19% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.59% | 90.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.02% | 94.80% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.68% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 80.49% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.01% | 95.89% |
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.
| Artemisia monosperma |
| Artemisia xanthochroa |
| PubChem | 162881264 |
| LOTUS | LTS0182586 |
| wikiData | Q104982052 |