[(E)-2-[2-[(3,4-dihydroxyphenyl)-hydroxymethyl]-1,3-benzodioxol-5-yl]ethenyl] hydrogen sulfate
| Internal ID | 905bb73a-f07a-4dde-abc2-681dcec246f8 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [(E)-2-[2-[(3,4-dihydroxyphenyl)-hydroxymethyl]-1,3-benzodioxol-5-yl]ethenyl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H14O9S/c17-11-3-2-10(8-12(11)18)15(19)16-24-13-4-1-9(7-14(13)25-16)5-6-23-26(20,21)22/h1-8,15-19H,(H,20,21,22)/b6-5+ |
| InChI Key | GXUILVXMRFBJDB-AATRIKPKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H14O9S |
| Molecular Weight | 382.30 g/mol |
| Exact Mass | 382.03585319 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of [(E)-2-[2-[(3,4-dihydroxyphenyl)-hydroxymethyl]-1,3-benzodioxol-5-yl]ethenyl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/e-2-2-34-dihydroxyphenyl-hydroxymethyl-13-benzodioxol-5-ylethenyl-hydrogen-sulfate.jpg "2D Structure of [(E)-2-[2-[(3,4-dihydroxyphenyl)-hydroxymethyl]-1,3-benzodioxol-5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.09% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.93% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.06% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.54% | 93.40% |
| CHEMBL3194 | P02766 | Transthyretin | 93.37% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.82% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.69% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.39% | 99.15% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 88.21% | 83.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.00% | 89.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.19% | 85.31% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.74% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.71% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.28% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.07% | 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.
| There are no matching plants. |
| PubChem | 24878681 |
| LOTUS | LTS0120887 |
| wikiData | Q105023404 |