4-[3-(3,5-Dihydroxyphenyl)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
| Internal ID | 3c7be046-7201-4324-802a-91f298026659 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC2=CC(=C3C(C(OC3=C2)C4=C(C=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC2=CC(=C3C(C(OC3=C2)C4=C(C=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O |
| InChI | InChI=1S/C28H22O7/c29-18-5-3-15(4-6-18)1-2-16-9-24(34)27-25(10-16)35-28(22-8-7-19(30)14-23(22)33)26(27)17-11-20(31)13-21(32)12-17/h1-14,26,28-34H |
| InChI Key | SEFNUEXMMDHMHO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H22O7 |
| Molecular Weight | 470.50 g/mol |
| Exact Mass | 470.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 131.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 4-[3-(3,5-Dihydroxyphenyl)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/961d8070-8531-11ee-beea-bbb9349fc641.jpg "2D Structure of 4-[3-(3,5-Dihydroxyphenyl)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.03% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.55% | 93.99% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.50% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.70% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 93.32% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.53% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.92% | 96.12% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.43% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.86% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.62% | 91.71% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.92% | 89.67% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.51% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.23% | 86.33% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.34% | 89.44% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.84% | 99.15% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 82.68% | 96.42% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.28% | 95.93% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.86% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.49% | 96.09% |
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.
| Arnica acaulis |
| Calea sickii |
| Gnetum gnemon |
| Gnetum latifolium |
| Inula japonica |
| Neomirandea arthodes |
| Oxylobus arbutifolius |
| Perityle emoryi |
| Spirotropis longifolia |
| PubChem | 73802098 |
| LOTUS | LTS0053965 |
| wikiData | Q105288721 |