[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl] hydrogen sulfate
| Internal ID | b937ad50-1292-4323-8515-a131424ac4c0 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | [(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H12O8S/c17-25(18,19)24-8-1-2-9-12(3-8)20-6-11-10-4-14-15(22-7-21-14)5-13(10)23-16(9)11/h1-5,11,16H,6-7H2,(H,17,18,19)/t11-,16-/m0/s1 |
| InChI Key | OGNAERBXKNMZRC-ZBEGNZNMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H12O8S |
| Molecular Weight | 364.30 g/mol |
| Exact Mass | 364.02528851 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of [(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/ad210200-85ba-11ee-a31e-2b7b72aa40f2.jpg "2D Structure of [(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl] 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 96.95% | 92.51% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.94% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.47% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.18% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.45% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.63% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.70% | 96.77% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.75% | 94.73% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.71% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.25% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.78% | 98.95% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.48% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.73% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.10% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.93% | 96.09% |
| CHEMBL2808 | Q13133 | LXR-alpha | 81.85% | 97.06% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.46% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.01% | 95.89% |
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 | 162886708 |
| LOTUS | LTS0132096 |
| wikiData | Q105191723 |