Sulfuretin
| Internal ID | 227497dc-fdde-49d2-abc5-e5722513d30a |
| Taxonomy | Phenylpropanoids and polyketides > Aurone flavonoids |
| IUPAC Name | (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one |
| SMILES (Canonical) | C1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C=C(C=C3)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O)O |
| InChI | InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6- |
| InChI Key | RGNXWPVNPFAADO-NSIKDUERSA-N |
| Popularity | 157 references in papers |
| Molecular Formula | C15H10O5 |
| Molecular Weight | 270.24 g/mol |
| Exact Mass | 270.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 2.50 |
| 120-05-8 |
| Sulphuretin |
| 6,3',4'-Trihydroxyaurone |
| UNII-M6410VY6MI |
| MLS000863576 |
| CHEBI:9355 |
| M6410VY6MI |
| Aurone, 6,3',4'-trihydroxy- |
| EINECS 204-366-4 |
| SMR000440743 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293236 | P46063 | ATP-dependent DNA helicase Q1 |
25118.9 nM |
Potency |
via CMAUP
|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase |
15848.9 nM |
Potency |
via CMAUP
|
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 |
1534.63 nM |
IC50 |
via CMAUP
|
| CHEMBL1293226 | B2RXH2 | Lysine-specific demethylase 4D-like |
15848.9 nM |
Potency |
via CMAUP
|
| CHEMBL2608 | P10253 | Lysosomal alpha-glucosidase |
22387.2 nM |
Potency |
via CMAUP
|
| CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
14125.4 nM 17782.8 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein |
5623.4 nM |
Potency |
via CMAUP
|
| CHEMBL4722 | O14965 | Serine/threonine-protein kinase Aurora-A |
850 nM |
IC50 |
via Super-PRED
|
| CHEMBL4128 | Q02763 | Tyrosine-protein kinase TIE-2 |
950 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.69% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.94% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.16% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.16% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 93.04% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.54% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.44% | 99.15% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 87.36% | 80.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.77% | 99.23% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.60% | 96.12% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.48% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.36% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.10% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.34% | 98.35% |
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.
| PubChem | 5281295 |
| NPASS | NPC140840 |
| ChEMBL | CHEMBL490355 |
| LOTUS | LTS0129620 |
| wikiData | Q27108357 |