homoeriodictyol   Click here for help

GtoPdb Ligand ID: 12444

Synonyms: (+/-)-5,7,4'-Trihydroxy-3'-methoxyflavanone | (+/-)-Homoeriodictyol
Compound class: Natural product
Comment: Homoeriodictyol is a bitter tasting natural compound from the mistletoe plant Viscum album. We show the molecule without specified stereochemistry to represent the racemic mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 96.22
Molecular weight 302.28
XLogP 0.76
No. Lipinski's rules broken 0
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Canonical SMILES COC1=CC(=CC=C1O)C2CC(=O)C3=C(C=C(C=C3O)O)O2
Isomeric SMILES COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3
Classification Click here for help
Compound class Natural product
IUPAC Name Click here for help
Synonyms Click here for help
(+/-)-5,7,4'-Trihydroxy-3'-methoxyflavanone | (+/-)-Homoeriodictyol
Database Links Click here for help
Specialist databases
GPCRdb Ligand homoeriodictyol
Other databases
ChEMBL Ligand CHEMBL398282
GtoPdb PubChem SID 479821234
PubChem CID 3512637
Search Google for chemical match using the InChIKey FTODBIPDTXRIGS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FTODBIPDTXRIGS
UniChem Compound Search for chemical match using the InChIKey FTODBIPDTXRIGS-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FTODBIPDTXRIGS-UHFFFAOYSA-N