 |
| Ligand Name:
3,5,7,3',4'-PENTAHYDROXYFLAVONE |
| HET ID: QUE |
PubChem:
5280343
|
| DrugBank: DB04216 |
ChEMBL: CHEMBL50 |
| Canonical SMILES: Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
| Standard InChI: InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
| Molecular Formula: C15H10O7 |
Mol. Weight: 302.2357 |
Heavy Atoms: 22 |
| Charge: 0 |
Is Chiral: False |
logP: 1.988 |
| HBD: 5 |
HBA: 7 |
TPSA: 131.36 |
| #Bonds: 24 |
#Rotatable Bonds: 1 |
Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |