(+/-)-Eriodictyol   Click here for help

GtoPdb Ligand ID: 12442

Compound class: Natural product
Comment: Eriodictyol is a natural plant compound that is present in Prunus campanulata (cherry tree) and Lawsonia inermis (henna tree).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 1
Topological polar surface area 107.22
Molecular weight 288.25
XLogP 0.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1=C(C=C(C(=C1)O)O)C2CC(=O)C3=C(C=C(C=C3O)O)O2
Isomeric SMILES C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
InChI InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2
InChI Key SBHXYTNGIZCORC-UHFFFAOYSA-N
References
1. Roland WS, van Buren L, Gruppen H, Driesse M, Gouka RJ, Smit G, Vincken JP. (2013)
Bitter taste receptor activation by flavonoids and isoflavonoids: modeled structural requirements for activation of hTAS2R14 and hTAS2R39.
J Agric Food Chem, 61 (44): 10454-66. [PMID:24117141]