6-Hydroxyluteolin 3'-methyl ether 6,7-disulfate
| Internal ID | 1831aba4-db42-4e85-b8a4-e1bfbec4140e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids |
| IUPAC Name | [5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-6-sulfooxychromen-7-yl] hydrogen sulfate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OS(=O)(=O)O)OS(=O)(=O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OS(=O)(=O)O)OS(=O)(=O)O)O)O |
| InChI | InChI=1S/C16H12O13S2/c1-26-11-4-7(2-3-8(11)17)10-5-9(18)14-12(27-10)6-13(28-30(20,21)22)16(15(14)19)29-31(23,24)25/h2-6,17,19H,1H3,(H,20,21,22)(H,23,24,25) |
| InChI Key | MXTKFVCPRZJWQJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H12O13S2 |
| Molecular Weight | 476.40 g/mol |
| Exact Mass | 475.97193278 g/mol |
| Topological Polar Surface Area (TPSA) | 220.00 Ų |
| XlogP | 1.10 |
| LMPK12111257 |
| 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 | 97.49% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.73% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.08% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.12% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.35% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.99% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.75% | 99.15% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 90.92% | 98.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.00% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 87.60% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.46% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.98% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.84% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.39% | 86.92% |
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.
| Phyla nodiflora |
| PubChem | 13845919 |
| LOTUS | LTS0081854 |
| wikiData | Q105174579 |