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
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2
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Hydrogen bond donors
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0
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Rotatable bonds
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1
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Topological polar surface area
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26.3
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Molecular weight
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236.27
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XLogP
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2.62
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No. Lipinski's rules broken
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0
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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SMILES / InChI / InChIKey
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Canonical SMILES
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CC1=CC=C2C(=C1)C(=O)C=C(C3=CC=CC=C3)O2
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Isomeric SMILES
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CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3
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InChI
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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
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InChI Key
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NOQJBXPAMJLUSS-UHFFFAOYSA-N
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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