morin   

GtoPdb Ligand ID: 411

Synonyms: aurantica | calico yellow | toxylon pomiferum
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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
InChI Key YXOLAZRVSSWPPT-UHFFFAOYSA-N
Selectivity at GPCRs
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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]