methyl 3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-oxo-8bH-cyclopenta[b][1]benzofuran-3a-carboxylate
| Internal ID | 3762b193-659c-4fa2-ba2e-620e59b7c02f |
| Taxonomy | Organoheterocyclic compounds > Coumarans |
| IUPAC Name | methyl 3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-oxo-8bH-cyclopenta[b][1]benzofuran-3a-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H14O8/c1-26-18(25)19-14(8-2-4-11(21)12(22)6-8)16(23)17(24)15(19)10-7-9(20)3-5-13(10)27-19/h2-7,15,20-23H,1H3 |
| InChI Key | MWJUVQKVZFIANK-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H14O8 |
| Molecular Weight | 370.30 g/mol |
| Exact Mass | 370.06886740 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of methyl 3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-oxo-8bH-cyclopenta[b][1]benzofuran-3a-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-3-34-dihydroxyphenyl-27-dihydroxy-1-oxo-8bh-cyclopentab1benzofuran-3a-carboxylate.jpg "2D Structure of methyl 3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-oxo-8bH-cyclopenta[b][1]benzofuran-3a-carboxylate")
| 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 | 99.46% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.88% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.77% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.79% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.64% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.95% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.62% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.44% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.14% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.03% | 94.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.56% | 90.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.01% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.11% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.81% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.20% | 92.88% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.00% | 90.00% |
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.
| There are no matching plants. |
| PubChem | 131752178 |
| LOTUS | LTS0068782 |
| wikiData | Q104172125 |