[2-Hydroxy-5-(7-hydroxy-3,5-dimethoxy-4-oxochromen-2-yl)phenyl] hydrogen sulfate
| Internal ID | 9ac08912-9aa5-4aff-94f9-c3a4a0e42ba2 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids |
| IUPAC Name | [2-hydroxy-5-(7-hydroxy-3,5-dimethoxy-4-oxochromen-2-yl)phenyl] hydrogen sulfate |
| SMILES (Canonical) | COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OS(=O)(=O)O)OC)O |
| SMILES (Isomeric) | COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OS(=O)(=O)O)OC)O |
| InChI | InChI=1S/C17H14O10S/c1-24-12-6-9(18)7-13-14(12)15(20)17(25-2)16(26-13)8-3-4-10(19)11(5-8)27-28(21,22)23/h3-7,18-19H,1-2H3,(H,21,22,23) |
| InChI Key | TZOCNNYAQORZLV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O10S |
| Molecular Weight | 410.40 g/mol |
| Exact Mass | 410.03076781 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of [2-Hydroxy-5-(7-hydroxy-3,5-dimethoxy-4-oxochromen-2-yl)phenyl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-5-7-hydroxy-35-dimethoxy-4-oxochromen-2-ylphenyl-hydrogen-sulfate.jpg "2D Structure of [2-Hydroxy-5-(7-hydroxy-3,5-dimethoxy-4-oxochromen-2-yl)phenyl] 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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.78% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.56% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.57% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.59% | 89.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 92.11% | 98.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.95% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.55% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.51% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.94% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.06% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 87.40% | 90.71% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 86.20% | 95.53% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.93% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.33% | 97.14% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.99% | 80.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.01% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.59% | 94.42% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.36% | 100.00% |
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.
| Carya illinoinensis |
| PubChem | 162849902 |
| LOTUS | LTS0095464 |
| wikiData | Q105268282 |