Molecule ID: 10087098

IUPAC Name: methyl 2-(3,4-dihydroxyphenyl)-4,6-dihydroxy-1-benzofuran-3-carboxylate

Description: The molecule is a member of the class of 1-benzofurans that is 1-benzofuran substituted by hydroxy groups at positions 4 and 6, a 3,4-dihydroxyphenyl group at position 2 and a methoxy carbonyl at position 3. Isolated from black colored rice bran of Oryza sativa, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is a member of 1-benzofurans, a polyphenol and a carboxylic ester.

SMILES: COC(=O)c1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

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

InChI: InChI=1S/C16H12O7/c1-22-16(21)14-13-11(20)5-8(17)6-12(13)23-15(14)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 2.4