Molecule ID: 160490

IUPAC Name: (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one

Description: The molecule is a dihydroxyflavanone that is (2S)-flavanone with hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a methoxy group at position 4'. It has a role as a radical scavenger and a plant metabolite. It is a dihydroxyflavanone, a monomethoxyflavanone and a member of 4'-methoxyflavanones. It derives from a (2S)-flavanone.

SMILES: COc1ccc([C@@H]2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=C][C@@H1][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][#Branch2][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C18H18O5/c1-9-16(20)10(2)18-15(17(9)21)13(19)8-14(23-18)11-4-6-12(22-3)7-5-11/h4-7,14,20-21H,8H2,1-3H3/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 3.4