6-Methoxyluteolin 3',4'-disulfate
| Internal ID | fdbbfc69-66ad-4d7f-912b-1f3d99dc626e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 6-O-methylated flavonoids |
| IUPAC Name | [4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)-2-sulfooxyphenyl] hydrogen sulfate |
| SMILES (Canonical) | COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)OS(=O)(=O)O)OS(=O)(=O)O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)OS(=O)(=O)O)OS(=O)(=O)O)O |
| InChI | InChI=1S/C16H12O13S2/c1-26-16-9(18)6-13-14(15(16)19)8(17)5-11(27-13)7-2-3-10(28-30(20,21)22)12(4-7)29-31(23,24)25/h2-6,18-19H,1H3,(H,20,21,22)(H,23,24,25) |
| InChI Key | SSIWKQVIFLSBDM-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 |
| LMPK12111255 |
| 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 | 97.41% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.65% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.66% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.40% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.06% | 95.56% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 91.48% | 83.57% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.41% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 91.17% | 90.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.86% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.06% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.66% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.03% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.45% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.43% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.41% | 90.71% |
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 | 13845921 |
| LOTUS | LTS0037191 |
| wikiData | Q105259706 |