5-[(2S,3S)-4-[(2S,3S)-5-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
| Internal ID | 1da60439-9491-424a-bfb7-9d26ac981294 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-[(2S,3S)-4-[(2S,3S)-5-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C56H42O12/c57-35-10-2-28(3-11-35)1-4-31-17-42(64)26-47-49(31)50(33-18-38(60)23-39(61)19-33)56(67-47)32-9-16-46-44(22-32)52(55(66-46)30-7-14-37(59)15-8-30)45-25-43(65)27-48-53(45)51(34-20-40(62)24-41(63)21-34)54(68-48)29-5-12-36(58)13-6-29/h1-27,50-52,54-65H/b4-1+/t50-,51-,52+,54+,55+,56+/m0/s1 |
| InChI Key | DVRLJFWTPJSLED-MLBKECAWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C56H42O12 |
| Molecular Weight | 906.90 g/mol |
| Exact Mass | 906.26762677 g/mol |
| Topological Polar Surface Area (TPSA) | 210.00 Ų |
| XlogP | 10.00 |
| There are no found synonyms. |
![2D Structure of 5-[(2S,3S)-4-[(2S,3S)-5-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/e5c4f380-8643-11ee-b2f1-7bc4d8af3bcd.jpg "2D Structure of 5-[(2S,3S)-4-[(2S,3S)-5-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-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 | 98.57% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 92.95% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 92.88% | 98.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.60% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.32% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.07% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.69% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.11% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.53% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.28% | 93.40% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.20% | 90.93% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.47% | 89.44% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.46% | 93.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.02% | 86.33% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.78% | 89.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.28% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.05% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.74% | 99.17% |
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.
| Upuna borneensis |
| PubChem | 163193808 |
| LOTUS | LTS0046416 |
| wikiData | Q104990303 |