Molecule ID: 21117850

IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

Description: The molecule is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2', 4' and 6' and a methoxy group at position 3. It has a role as a plant metabolite. It is a member of chalcones, a benzenetriol and a member of guaiacols. It derives from a trans-chalcone.

SMILES: COc1cc(/C=C/C(=O)c2c(O)cc(O)cc2O)ccc1O

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

InChI: InChI=1S/C16H14O6/c1-22-15-6-9(2-4-11(15)18)3-5-12(19)16-13(20)7-10(17)8-14(16)21/h2-8,17-18,20-21H,1H3/b5-3+

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 2.9