Axillarin 7-sulfate
| Internal ID | fcd58f9f-5e6d-401b-b3e7-bd8a2acce4f1 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 6-O-methylated flavonoids |
| IUPAC Name | [2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxochromen-7-yl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H14O11S/c1-25-16-11(28-29(22,23)24)6-10-12(13(16)20)14(21)17(26-2)15(27-10)7-3-4-8(18)9(19)5-7/h3-6,18-20H,1-2H3,(H,22,23,24) |
| InChI Key | AYBWPCJLKMIOED-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H14O11S |
| Molecular Weight | 426.40 g/mol |
| Exact Mass | 426.02568243 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | 1.90 |
| Quercetagetin 3,6-dimethyl ether 7-sulfate |
| [2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxochromen-7-yl] hydrogen sulfate |
| (2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxochromen-7-yl) hydrogen sulfate |
| RefChem:115830 |
| 737749-32-5 |
| Centaradixin |
| CHEBI:188021 |
| LMPK12112974 |
| [2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxochromen-7-yl] hydrogen sulate |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.58% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.88% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.30% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.25% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.03% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.61% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.73% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.28% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.03% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.98% | 94.73% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.59% | 98.11% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.86% | 80.78% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.90% | 94.42% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.77% | 95.53% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.59% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 81.52% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.88% | 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.
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| There are no matching plants. |
| PubChem | 5323515 |
| LOTUS | LTS0191752 |
| wikiData | Q104920962 |