5-[(2S,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dimethyl-1-benzofuran-3-yl]benzene-1,3-diol
| Internal ID | 5731a14d-36de-49c4-b82a-cd33ee44cffa |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-[(2S,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dimethyl-1-benzofuran-3-yl]benzene-1,3-diol |
| SMILES (Canonical) | CC1(C(C2=C(C=C(C=C2O1)O)C=CC3=CC=C(C=C3)O)(C)C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O |
| SMILES (Isomeric) | C[C@@]1([C@](C2=C(C=C(C=C2O1)O)/C=C/C3=CC=C(C=C3)O)(C)C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O |
| InChI | InChI=1S/C30H26O6/c1-29(21-14-25(34)16-26(35)15-21)28-19(6-3-18-4-9-22(31)10-5-18)13-24(33)17-27(28)36-30(29,2)20-7-11-23(32)12-8-20/h3-17,31-35H,1-2H3/b6-3+/t29-,30+/m1/s1 |
| InChI Key | SXRAUGAFMDOHKN-BIGNCKOSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O6 |
| Molecular Weight | 482.50 g/mol |
| Exact Mass | 482.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 5-[(2S,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dimethyl-1-benzofuran-3-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/ddda23c0-8586-11ee-9273-b956b067681a.jpg "2D Structure of 5-[(2S,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dimethyl-1-benzofuran-3-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 | 98.27% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 96.79% | 98.35% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.21% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 91.93% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.88% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.45% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.70% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.12% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.91% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.82% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.26% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.80% | 93.10% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.72% | 91.49% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.86% | 89.67% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.80% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.48% | 96.09% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 82.40% | 89.49% |
| CHEMBL2487 | P05067 | Beta amyloid A4 protein | 81.95% | 96.74% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.70% | 89.44% |
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.
| Vatica affinis |
| PubChem | 163190492 |
| LOTUS | LTS0149250 |
| wikiData | Q105263275 |