Molecule ID: 50993752

IUPAC Name: 4-(3,5-dihydroxyphenyl)-3-[(3,4-dihydroxyphenyl)methyl]-2H-furan-5-one

Description: The molecule is a butenolide that is furan-2(5H)-one substituted by a 3,5-dihydroxyphenyl group at position 3 and a 3,4-dihydroxybenzyl group at position 4. It has been isolated from Penicillium species. It has a role as a Penicillium metabolite. It is a butenolide and a polyphenol.

SMILES: O=C1OCC(Cc2ccc(O)c(O)c2)=C1c1cc(O)cc(O)c1

SELFIES: [O][=C][O][C][C][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][Ring1][=C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2]

InChI: InChI=1S/C17H14O6/c18-12-5-10(6-13(19)7-12)16-11(8-23-17(16)22)3-9-1-2-14(20)15(21)4-9/h1-2,4-7,18-21H,3,8H2

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 1.9