1-[2-(3-Oxoprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethyl 2-methylbut-2-enoate
| Internal ID | 9181032f-0a3e-4cb3-9243-9c7d75a7110c |
| Taxonomy | Organoheterocyclic compounds > Coumarans |
| IUPAC Name | 1-[2-(3-oxoprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethyl 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC(C)C1=CC2=C(C=C1)OC(C2)C(=C)C=O |
| SMILES (Isomeric) | CC=C(C)C(=O)OC(C)C1=CC2=C(C=C1)OC(C2)C(=C)C=O |
| InChI | InChI=1S/C18H20O4/c1-5-11(2)18(20)21-13(4)14-6-7-16-15(8-14)9-17(22-16)12(3)10-19/h5-8,10,13,17H,3,9H2,1-2,4H3 |
| InChI Key | HUQITUMVDCBAQQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O4 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 1-[2-(3-Oxoprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethyl 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1-2-3-oxoprop-1-en-2-yl-23-dihydro-1-benzofuran-5-ylethyl-2-methylbut-2-enoate.jpg "2D Structure of 1-[2-(3-Oxoprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethyl 2-methylbut-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.89% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.42% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.28% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.90% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.52% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.05% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.45% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.42% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.11% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.03% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.87% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.46% | 93.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.22% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.96% | 95.89% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.47% | 89.44% |
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.
| Rhynchopsidium pumilum |
| PubChem | 162843255 |
| LOTUS | LTS0126142 |
| wikiData | Q105033975 |