[2-(4-Acetyloxy-3-methoxyphenyl)-5-formyl-7-methoxy-1-benzofuran-3-yl]methyl acetate
| Internal ID | 06be9c38-7733-4abf-8d93-146d7d1aa78a |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | [2-(4-acetyloxy-3-methoxyphenyl)-5-formyl-7-methoxy-1-benzofuran-3-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1=C(OC2=C1C=C(C=C2OC)C=O)C3=CC(=C(C=C3)OC(=O)C)OC |
| SMILES (Isomeric) | CC(=O)OCC1=C(OC2=C1C=C(C=C2OC)C=O)C3=CC(=C(C=C3)OC(=O)C)OC |
| InChI | InChI=1S/C22H20O8/c1-12(24)28-11-17-16-7-14(10-23)8-20(27-4)22(16)30-21(17)15-5-6-18(29-13(2)25)19(9-15)26-3/h5-10H,11H2,1-4H3 |
| InChI Key | CNGYJVQXFQKXOK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O8 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [2-(4-Acetyloxy-3-methoxyphenyl)-5-formyl-7-methoxy-1-benzofuran-3-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-4-acetyloxy-3-methoxyphenyl-5-formyl-7-methoxy-1-benzofuran-3-ylmethyl-acetate.jpg "2D Structure of [2-(4-Acetyloxy-3-methoxyphenyl)-5-formyl-7-methoxy-1-benzofuran-3-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.53% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.47% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.10% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.23% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.06% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.47% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.86% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.11% | 96.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.56% | 97.28% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.58% | 94.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 86.47% | 98.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.65% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.94% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.22% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.17% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 81.99% | 90.71% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 80.61% | 97.53% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.39% | 92.29% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 80.31% | 87.67% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.07% | 95.78% |
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.
| Pinus taeda |
| PubChem | 101932972 |
| LOTUS | LTS0256977 |
| wikiData | Q104965764 |