morin   Click here for help

GtoPdb Ligand ID: 411

Synonyms: aurantica | calico yellow | toxylon pomiferum
PDB Ligand
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 5
Rotatable bonds 1
Topological polar surface area 131.36
Molecular weight 302.04
XLogP 3.02
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O
Isomeric SMILES Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O
InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
A1 receptor Rn Antagonist Antagonist 4.9 pKi - 1
pKi 4.9 [1]
A2A receptor Hs Antagonist Antagonist 4.8 pKi - 1
pKi 4.8 [1]