Jaceidin 4'-O-sulfate
| Internal ID | 3b5ff360-797d-4c0e-b02a-4ec5f6ebdf04 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 6-O-methylated flavonoids |
| IUPAC Name | [4-(5,7-dihydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] hydrogen sulfate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)OS(=O)(=O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)OS(=O)(=O)O |
| InChI | InChI=1S/C18H16O11S/c1-25-11-6-8(4-5-10(11)29-30(22,23)24)16-18(27-3)15(21)13-12(28-16)7-9(19)17(26-2)14(13)20/h4-7,19-20H,1-3H3,(H,22,23,24) |
| InChI Key | YFEOXGUEAFLJJM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H16O11S |
| Molecular Weight | 440.40 g/mol |
| Exact Mass | 440.04133250 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 2.20 |
| LMPK12113033 |
| 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 | 97.39% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.80% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.82% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.16% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.03% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.86% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.45% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 86.40% | 98.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.32% | 96.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 86.01% | 95.53% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.69% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 85.41% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.04% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.11% | 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.
| Brickellia glutinosa |
| PubChem | 44259879 |
| LOTUS | LTS0077441 |
| wikiData | Q105347549 |