3WL
5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
Find entries where: 3WL
is present as a standalone ligand in 6 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one |
| Synonyms | Baicalein |
| Identifiers | 5,6,7-tris(oxidanyl)-2-phenyl-chromen-4-one |
| Formula | C15 H10 O5 |
| Molecular Weight | 270.237 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2 |
| InChI | InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H |
| InChIKey | FXNFHKRTJBSTCS-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 30 |
| Chiral Atom Count | 0 |
| Bond Count | 32 |
| Aromatic Bond Count | 12 |
Drug Info: DrugBank
| DrugBank ID | DB16101? |
|---|---|
| Name | Baicalein |
| Groups | investigational |
| Description | Baicalein is under investigation in clinical trial NCT03830684 (A Randomized, Double-blind, Placebo-controlled, Multicenter and Phase ˘ňA Clinical Trial for the Effectiveness and Safety of Baicalein Tablets in the Treatment of Improve Other Aspects of Healthy Adult With Influenza Fever). |
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| Categories |
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| CAS number | 491-67-8 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL8260 |
| PubChem | 5281605 |
| ChEMBL | CHEMBL8260 |
| ChEBI | CHEBI:2979 |
| CCDC/CSD | RAMGOB01, JIJWIL, ZUNHOH01, KAMRAU, TOHZIC, GAZWUB, RAMGOB, KAMQOH, ZUNHIB, KAMQIB, ZUNHOH, KAMQUN, RAMGOB02, OQOGIN, ETATOL, LAYTOY, LAYTOY01, KAMQIB01, ODAJOW |
| COD | 4513681, 2018531, 4513555, 4513554 |
