5,8-Dihydroxy-3-(1-hydroxyethyl)-6-methoxybenzo[f][2]benzofuran-4,9-dione
| Internal ID | e242e6d9-a9fb-4456-8471-2ab1234e736b |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 5,8-dihydroxy-3-(1-hydroxyethyl)-6-methoxybenzo[f][2]benzofuran-4,9-dione |
| SMILES (Canonical) | CC(C1=C2C(=CO1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)O)O |
| SMILES (Isomeric) | CC(C1=C2C(=CO1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)O)O |
| InChI | InChI=1S/C15H12O7/c1-5(16)15-9-6(4-22-15)12(18)10-7(17)3-8(21-2)13(19)11(10)14(9)20/h3-5,16-17,19H,1-2H3 |
| InChI Key | QQGQWVKKAVZQAT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H12O7 |
| Molecular Weight | 304.25 g/mol |
| Exact Mass | 304.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 5,8-Dihydroxy-3-(1-hydroxyethyl)-6-methoxybenzo[f][2]benzofuran-4,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/58-dihydroxy-3-1-hydroxyethyl-6-methoxybenzof2benzofuran-49-dione.jpg "2D Structure of 5,8-Dihydroxy-3-(1-hydroxyethyl)-6-methoxybenzo[f][2]benzofuran-4,9-dione")
| 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 | 97.59% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.26% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.98% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.69% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.91% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.56% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.68% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.05% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 87.05% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.99% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.83% | 96.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.68% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.26% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.94% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.79% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.08% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.02% | 96.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 80.70% | 98.21% |
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.
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| There are no matching plants. |
| PubChem | 136801551 |
| LOTUS | LTS0202510 |
| wikiData | Q105225825 |