Molecule ID: 53262867

IUPAC Name: 4-(2-hydroxy-3,6-dimethoxy-4-phenylphenyl)benzene-1,2-diol

Description: The molecule is a para-terphenyl that is the 4''-dehydro derivative of 3-hydroxyterphenyllin. It has been isolated from Aspergillus taichungensis. It has a role as an antineoplastic agent and an Aspergillus metabolite. It is a para-terphenyl, a member of catechols and a dimethoxybenzene. It derives from a 3-hydroxyterphenyllin.

SMILES: COc1cc(-c2ccccc2)c(OC)c(O)c1-c1ccc(O)c(O)c1

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

InChI: InChI=1S/C20H18O5/c1-24-17-11-14(12-6-4-3-5-7-12)20(25-2)19(23)18(17)13-8-9-15(21)16(22)10-13/h3-11,21-23H,1-2H3

Molecular Properties:
- Polar Surface Area: 79.2 Ų
- LogP: 4.1