5-[3-(3,5-Dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol
| Internal ID | 45d063b7-ba22-49d5-a1e9-6414276a0135 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-[3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC4=C2C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC4=C2C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O |
| InChI | InChI=1S/C42H32O9/c43-27-8-1-22(2-9-27)3-14-34-39-35(50-41(23-4-10-28(44)11-5-23)37(39)25-15-30(46)19-31(47)16-25)21-36-40(34)38(26-17-32(48)20-33(49)18-26)42(51-36)24-6-12-29(45)13-7-24/h1-21,37-38,41-49H |
| InChI Key | PHIHHTIYURVLDB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H32O9 |
| Molecular Weight | 680.70 g/mol |
| Exact Mass | 680.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
![2D Structure of 5-[3-(3,5-Dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/cf989dd0-8796-11ee-bbf7-51d296f1d77f.jpg "2D Structure of 5-[3-(3,5-Dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-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 | 97.10% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.24% | 83.82% |
| CHEMBL3194 | P02766 | Transthyretin | 92.14% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.51% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.24% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.12% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.64% | 94.73% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 85.01% | 98.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.30% | 97.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.65% | 89.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.30% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.51% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.79% | 86.33% |
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.
| Ampelopsis glandulosa var. brevipedunculata |
| Gnetum gnemon |
| Paeonia suffruticosa |
| Shorea pinanga |
| Vitis chunganensis |
| Vitis vinifera |
| PubChem | 73091958 |
| LOTUS | LTS0152927 |
| wikiData | Q104667538 |