6-Methylflavone   Click here for help

GtoPdb Ligand ID: 12466

Synonyms: 6-methyl-2-phenylchromen-4-one
Compound class: Natural product
Comment: 6-methylflavone is a bitter taste blocker.
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 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 26.3
Molecular weight 236.27
XLogP 2.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC1=CC=C2C(=C1)C(=O)C=C(C3=CC=CC=C3)O2
Isomeric SMILES CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3
InChI InChI=1S/C16H12O2/c1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key NOQJBXPAMJLUSS-UHFFFAOYSA-N
References
1. Roland WS, Gouka RJ, Gruppen H, Driesse M, van Buren L, Smit G, Vincken JP. (2014)
6-methoxyflavanones as bitter taste receptor blockers for hTAS2R39.
PLoS One, 9 (4): e94451. [PMID:24722342]