5,7-Dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-5-methoxy-1-benzofuran-7-yl]chromen-4-one
| Internal ID | dcfee69a-821e-4a4a-8799-7187e9e5dfaf |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 3-O-methylated isoflavonoids > 3-O-methylisoflavones |
| IUPAC Name | 5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-5-methoxy-1-benzofuran-7-yl]chromen-4-one |
| SMILES (Canonical) | CC(C)(C1=CC2=C(O1)C(=CC(=C2O)OC)C3=COC4=CC(=CC(=C4C3=O)O)O)O |
| SMILES (Isomeric) | CC(C)(C1=CC2=C(O1)C(=CC(=C2O)OC)C3=COC4=CC(=CC(=C4C3=O)O)O)O |
| InChI | InChI=1S/C21H18O8/c1-21(2,26)16-7-11-18(24)15(27-3)6-10(20(11)29-16)12-8-28-14-5-9(22)4-13(23)17(14)19(12)25/h4-8,22-24,26H,1-3H3 |
| InChI Key | QOCRZTXBRNJBOO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H18O8 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-5-methoxy-1-benzofuran-7-yl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-3-4-hydroxy-2-2-hydroxypropan-2-yl-5-methoxy-1-benzofuran-7-ylchromen-4-one.jpg "2D Structure of 5,7-Dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-5-methoxy-1-benzofuran-7-yl]chromen-4-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 | 99.48% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.98% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.74% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.36% | 95.56% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 95.30% | 98.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.69% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.72% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.49% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.43% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.62% | 98.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.42% | 93.65% |
| CHEMBL3194 | P02766 | Transthyretin | 87.19% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.86% | 94.42% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 86.36% | 98.11% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.65% | 80.78% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.35% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.58% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.70% | 97.14% |
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.
| Piscidia piscipula |
| PubChem | 162930123 |
| LOTUS | LTS0099728 |
| wikiData | Q105224805 |