Molecule ID: 10370467

IUPAC Name: [2,4,5-triacetyloxy-3,6-bis(4-hydroxyphenyl)phenyl] benzoate

Description: The molecule is a para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy groups at positions 3', 5' and 6', hydroxy groups at positions 4 and 4'' and a benzyloxy 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 a member of phenols, an acetate ester, a benzoate ester and a para-terphenyl. It derives from a hydride of a 1,4-diphenylbenzene.

SMILES: CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(OC(C)=O)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][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C31H24O10/c1-17(32)38-27-25(20-9-13-23(35)14-10-20)29(40-19(3)34)30(41-31(37)22-7-5-4-6-8-22)26(28(27)39-18(2)33)21-11-15-24(36)16-12-21/h4-16,35-36H,1-3H3

Molecular Properties:
- Polar Surface Area: 146.0 Ų
- LogP: 5.1