Molecule ID: 54675753

IUPAC Name: (5Z)-4-hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one

Description: The molecule is a 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one in which the double bond adopts a Z-configuration. It is a marine metabolite isolated from the fungus Aspergillus terreus and exhibits antiviral activity. It has a role as an Aspergillus metabolite, a marine metabolite, an antiviral agent and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one and an aspulvinone. It is a conjugate acid of an aspulvinone E(1-).

SMILES: O=C1O/C(=C\c2ccc(O)cc2)C(O)=C1c1ccc(O)cc1

SELFIES: [O][=C][O][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C17H12O5/c18-12-5-1-10(2-6-12)9-14-16(20)15(17(21)22-14)11-3-7-13(19)8-4-11/h1-9,18-20H/b14-9-

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 2.6