5-[(2S,3S)-4-hydroxy-6-[(2R,3S)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
| Internal ID | b365265d-3b7c-4615-9943-a856ee031d14 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-[(2S,3S)-4-hydroxy-6-[(2R,3S)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2C(C3=C(C=C(C=C3O2)C4C(OC5=CC(=CC(=C45)O)C=CC6=CC=C(C=C6)O)C7=CC=C(C=C7)O)O)C8=CC(=CC(=C8)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@@H]2[C@H](C3=C(C=C(C=C3O2)[C@@H]4[C@@H](OC5=CC(=CC(=C45)O)/C=C/C6=CC=C(C=C6)O)C7=CC=C(C=C7)O)O)C8=CC(=CC(=C8)O)O)O |
| InChI | InChI=1S/C43H34O10/c1-51-35-19-25(8-13-32(35)48)43-38(26-16-30(46)21-31(47)17-26)41-34(50)18-27(20-37(41)53-43)39-40-33(49)14-23(3-2-22-4-9-28(44)10-5-22)15-36(40)52-42(39)24-6-11-29(45)12-7-24/h2-21,38-39,42-50H,1H3/b3-2+/t38-,39-,42-,43+/m0/s1 |
| InChI Key | GVEXWXWURRSKND-CCYPRQSISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H34O10 |
| Molecular Weight | 710.70 g/mol |
| Exact Mass | 710.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
![2D Structure of 5-[(2S,3S)-4-hydroxy-6-[(2R,3S)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/9d3dfad0-84d2-11ee-81d5-e5cb54710995.jpg "2D Structure of 5-[(2S,3S)-4-hydroxy-6-[(2R,3S)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxy-3-methoxyphenyl)-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 | 98.93% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.10% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.50% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 94.49% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.78% | 96.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.60% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.31% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.67% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.63% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.68% | 89.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.92% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.18% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.41% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.76% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.68% | 98.75% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.52% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.96% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.53% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.25% | 90.00% |
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 venosum |
| PubChem | 163017480 |
| LOTUS | LTS0066345 |
| wikiData | Q105021101 |