Molecule ID: 14753671

IUPAC Name: 7-hydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one

Description: The molecule is a monohydroxyflavone that is flavone substituted by a hydroxy group at position 7, a methoxy group at position 5 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. It has a role as a plant metabolite and an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor. It is a monohydroxyflavone and a monomethoxyflavone. It derives from a flavone.

SMILES: COc1c(C)c(O)c(C)c2oc(-c3ccccc3)cc(=O)c12

SELFIES: [C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=Ring1][=N]

InChI: InChI=1S/C18H16O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-9,20H,1-3H3

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 3.5