4-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-2-yl]benzene-1,3-diol
| Internal ID | dd245868-7914-47fb-a867-bce1d0dbc719 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-2-yl]benzene-1,3-diol |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC2=C3C(=CC(=C2)O)OC(=C3C4=CC(=CC(=C4)O)O)C5=C(C=C(C=C5)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC2=C3C(=CC(=C2)O)OC(=C3C4=CC(=CC(=C4)O)O)C5=C(C=C(C=C5)O)O)O |
| InChI | InChI=1S/C28H20O7/c29-18-5-2-15(3-6-18)1-4-16-9-22(33)14-25-26(16)27(17-10-20(31)12-21(32)11-17)28(35-25)23-8-7-19(30)13-24(23)34/h1-14,29-34H |
| InChI Key | HCXAIXREQCKZEH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H20O7 |
| Molecular Weight | 468.50 g/mol |
| Exact Mass | 468.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 4-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-2-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/06deefa0-87d0-11ee-9d73-59b5d4a3a985.jpg "2D Structure of 4-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-2-yl]benzene-1,3-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 99.74% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.06% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 98.91% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.17% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.29% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.36% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.49% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.24% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.87% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.74% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.60% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.40% | 96.12% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.27% | 83.10% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.03% | 95.64% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.43% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.32% | 96.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.90% | 90.93% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 85.29% | 88.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.19% | 91.38% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.15% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.05% | 99.17% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.54% | 93.40% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 80.87% | 83.14% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 80.45% | 81.14% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.44% | 93.10% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.14% | 98.11% |
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.
| Gnetum hainanense |
| PubChem | 85218490 |
| LOTUS | LTS0065979 |
| wikiData | Q105026032 |