Molecule ID: 11764573

IUPAC Name: [3,4-diacetyloxy-2,5-bis(4-hydroxyphenyl)-6-(3-phenylpropanoyloxy)phenyl] 3-hydroxybutanoate

Description: The molecule is a para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy groups at positions 5' and 6', hydroxy groups at positions 4 and 4'', a (3-phenylpropanoyl)oxy group at position 3' and a (3-hydroxybutanoyl)oxy group at position 2'. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity It has a role as a metabolite and a radical scavenger. It is an acetate ester, a member of phenols and a para-terphenyl. It derives from a 3-hydroxybutyric acid. It derives from a hydride of a 1,4-diphenylbenzene.

SMILES: CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)CC(C)O)c(OC(=O)CCc2ccccc2)c1-c1ccc(O)cc1

SELFIES: [C][C][=Branch1][C][=O][O][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Branch1][N][O][C][=Branch1][C][=O][C][C][Branch1][C][C][O][C][Branch1][S][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][Ring1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C35H32O11/c1-20(36)19-29(42)46-35-31(25-12-16-27(40)17-13-25)33(44-22(3)38)32(43-21(2)37)30(24-10-14-26(39)15-11-24)34(35)45-28(41)18-9-23-7-5-4-6-8-23/h4-8,10-17,20,36,39-40H,9,18-19H2,1-3H3

Molecular Properties:
- Polar Surface Area: 166.0 Ų
- LogP: 5.0