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
References
1. Karton Y, Jiang JL, Ji XD, Melman N, Olah ME, Stiles GL, Jacobson KA. (1996)
Synthesis and biological activities of flavonoid derivatives as A3 adenosine receptor antagonists.
J. Med. Chem., 39 (12): 2293-301. [PMID:8691424]