Molecule ID: 5281221

IUPAC Name: (2Z)-4,6-dihydroxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one

Description: The molecule is the 3,4,5-trihydrobenzylidene derivative of 4,6-dihydroxy-1-benzofuran-3(2H)-one. Its glucoside is a significant contributor to the yellow colour of Antirrhinum majus (snapdragon) flowers. It has a role as a metabolite. It is a member of phenols and a member of 1-benzofurans.

SMILES: O=C1/C(=C/c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c21

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

InChI: InChI=1S/C15H10O7/c16-7-4-8(17)13-11(5-7)22-12(15(13)21)3-6-1-9(18)14(20)10(19)2-6/h1-5,16-20H/b12-3-

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: 2.4