3-[3-(2,4-Dihydroxybenzoyl)-2-(4-hydroxyphenyl)-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)propan-1-one
| Internal ID | c3072f5a-3183-4dc2-ae95-ee8af26d339d |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 3-[3-(2,4-dihydroxybenzoyl)-2-(4-hydroxyphenyl)-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)propan-1-one |
| SMILES (Canonical) | C1=CC(=CC=C1C2=C(C3=C(O2)C=CC(=C3)CCC(=O)C4=C(C=C(C=C4)O)O)C(=O)C5=C(C=C(C=C5)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2=C(C3=C(O2)C=CC(=C3)CCC(=O)C4=C(C=C(C=C4)O)O)C(=O)C5=C(C=C(C=C5)O)O)O |
| InChI | InChI=1S/C30H22O8/c31-18-5-3-17(4-6-18)30-28(29(37)22-10-8-20(33)15-26(22)36)23-13-16(2-12-27(23)38-30)1-11-24(34)21-9-7-19(32)14-25(21)35/h2-10,12-15,31-33,35-36H,1,11H2 |
| InChI Key | MQFIBQJBACGUTF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H22O8 |
| Molecular Weight | 510.50 g/mol |
| Exact Mass | 510.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 3-[3-(2,4-Dihydroxybenzoyl)-2-(4-hydroxyphenyl)-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)propan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/8088e5f0-854c-11ee-92f0-47e5a53a779f.jpg "2D Structure of 3-[3-(2,4-Dihydroxybenzoyl)-2-(4-hydroxyphenyl)-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)propan-1-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 | 98.37% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.29% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.04% | 95.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.59% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.60% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.27% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.77% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.33% | 99.15% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.56% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.53% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.92% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.74% | 86.33% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.11% | 92.29% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 85.65% | 96.37% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.82% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.44% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.30% | 90.71% |
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.
| Ochna afzelii |
| PubChem | 12085731 |
| LOTUS | LTS0069516 |
| wikiData | Q105169962 |