(4-Formyl-9-methoxy-5-methylbenzo[f][1]benzofuran-3-yl) acetate
| Internal ID | 6e248553-713d-4662-8008-aafc7e93149f |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (4-formyl-9-methoxy-5-methylbenzo[f][1]benzofuran-3-yl) acetate |
| SMILES (Canonical) | CC1=C2C(=CC=C1)C(=C3C(=C2C=O)C(=CO3)OC(=O)C)OC |
| SMILES (Isomeric) | CC1=C2C(=CC=C1)C(=C3C(=C2C=O)C(=CO3)OC(=O)C)OC |
| InChI | InChI=1S/C17H14O5/c1-9-5-4-6-11-14(9)12(7-18)15-13(22-10(2)19)8-21-17(15)16(11)20-3/h4-8H,1-3H3 |
| InChI Key | HIIVLPLDKOHUKR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O5 |
| Molecular Weight | 298.29 g/mol |
| Exact Mass | 298.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 65.70 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (4-Formyl-9-methoxy-5-methylbenzo[f][1]benzofuran-3-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-formyl-9-methoxy-5-methylbenzof1benzofuran-3-yl-acetate.jpg "2D Structure of (4-Formyl-9-methoxy-5-methylbenzo[f][1]benzofuran-3-yl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.55% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.57% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.81% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 90.43% | 98.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.75% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.14% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.77% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.24% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.25% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.41% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.45% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.19% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.01% | 93.65% |
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.
| Senecio subsessilis |
| PubChem | 162886878 |
| LOTUS | LTS0222802 |
| wikiData | Q105028870 |