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.
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Natural product
IUPAC Name Click here for help
6-methyl-2-phenylchromen-4-one
Synonyms Click here for help
6-methyl-2-phenylchromen-4-one
Database Links Click here for help
Specialist databases
GPCRdb Ligand 6-Methylflavone
Other databases
CAS Registry No. 29976-75-8 (source: PubChem)
ChEMBL Ligand CHEMBL134291
GtoPdb PubChem SID 479821256
PubChem CID 689013
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