4-(6-Hydroxy-5-methoxy-1-benzofuran-2-yl)-3-methoxybenzene-1,2-diol
| Internal ID | c115314d-c432-49fd-a558-99bebdd1c2aa |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-(6-hydroxy-5-methoxy-1-benzofuran-2-yl)-3-methoxybenzene-1,2-diol |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C=C(O2)C3=C(C(=C(C=C3)O)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C=C(O2)C3=C(C(=C(C=C3)O)O)OC)O |
| InChI | InChI=1S/C16H14O6/c1-20-14-6-8-5-13(22-12(8)7-11(14)18)9-3-4-10(17)15(19)16(9)21-2/h3-7,17-19H,1-2H3 |
| InChI Key | UYJTVWBPWZEIMQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O6 |
| Molecular Weight | 302.28 g/mol |
| Exact Mass | 302.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 92.30 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
| 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 | 98.65% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.70% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.34% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.66% | 86.33% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 88.07% | 98.11% |
| CHEMBL3194 | P02766 | Transthyretin | 86.80% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.72% | 85.14% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.67% | 90.24% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.21% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.08% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.03% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.23% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.00% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.64% | 89.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.11% | 95.12% |
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.
| Mucuna birdwoodiana |
| PubChem | 46177526 |
| LOTUS | LTS0085373 |
| wikiData | Q105281545 |