4,9-Dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
| Internal ID | eb2c2e13-f14f-4798-b0a8-223d27b638cc |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Coumestans |
| IUPAC Name | 4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C3=C(C4=CC(=C(C=C4O3)O)OC)C(=O)O2)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)C3=C(C4=CC(=C(C=C4O3)O)OC)C(=O)O2)O |
| InChI | InChI=1S/C17H12O7/c1-21-10-4-3-7-15-13(17(20)24-16(7)14(10)19)8-5-12(22-2)9(18)6-11(8)23-15/h3-6,18-19H,1-2H3 |
| InChI Key | LWHXUIMIAFTSKX-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H12O7 |
| Molecular Weight | 328.27 g/mol |
| Exact Mass | 328.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 98.40 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 4,9-Dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/49-dihydroxy-38-dimethoxy-1benzofuro32-cchromen-6-one.jpg "2D Structure of 4,9-Dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one")
| 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 | 98.88% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.49% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.00% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.82% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.34% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.04% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.01% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 90.25% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.85% | 91.49% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 88.47% | 98.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.01% | 90.20% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.53% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.45% | 98.75% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.92% | 93.31% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.28% | 94.42% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.09% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.74% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.41% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.19% | 93.99% |
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.
| Butea monosperma |
| PubChem | 162868360 |
| LOTUS | LTS0183630 |
| wikiData | Q105158313 |