[(E)-2-[3-(3,4-dihydroxyphenyl)-2-[2-hydroxy-4-[(E)-2-sulfooxyethenyl]phenoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl] hydrogen sulfate
| Internal ID | 47df7eac-57fc-42c0-b823-710efb811514 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxanes > Phenylbenzodioxanes > Phenylbenzo-1,4-dioxanes |
| IUPAC Name | [(E)-2-[3-(3,4-dihydroxyphenyl)-2-[2-hydroxy-4-[(E)-2-sulfooxyethenyl]phenoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H20O14S2/c25-17-4-3-16(13-18(17)26)23-24(37-20-5-1-14(11-19(20)27)7-9-34-39(28,29)30)38-21-6-2-15(12-22(21)36-23)8-10-35-40(31,32)33/h1-13,23-27H,(H,28,29,30)(H,31,32,33)/b9-7+,10-8+ |
| InChI Key | DRCHDIOVIGTTKJ-FIFLTTCUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H20O14S2 |
| Molecular Weight | 596.50 g/mol |
| Exact Mass | 596.02944765 g/mol |
| Topological Polar Surface Area (TPSA) | 232.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [(E)-2-[3-(3,4-dihydroxyphenyl)-2-[2-hydroxy-4-[(E)-2-sulfooxyethenyl]phenoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/44716db0-85d2-11ee-9ecf-eb02328d1278.jpg "2D Structure of [(E)-2-[3-(3,4-dihydroxyphenyl)-2-[2-hydroxy-4-[(E)-2-sulfooxyethenyl]phenoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl] hydrogen sulfate")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.66% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.16% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 94.52% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.32% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.85% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.30% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.99% | 94.73% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 87.13% | 80.78% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.46% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.09% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.88% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.74% | 97.09% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.47% | 83.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.90% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.00% | 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.
| There are no matching plants. |
| PubChem | 24878679 |
| LOTUS | LTS0129689 |
| wikiData | Q104987328 |