Molecule ID: 10349856

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

Description: The molecule is a para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy group at position 3', hydroxy groups at positions 4 and 4'' a (3-hydroxybutanoyl)oxy group at position 6' and [3-(acetyloxy)butanoyl]oxy groups at positions 2' and 5' respectively. 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(=O)CC(C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)CC(C)O)c(OC(=O)CC(C)OC(C)=O)c1-c1ccc(O)cc1

SELFIES: [C][C][=Branch1][C][=O][O][C][=C][Branch1][P][O][C][=Branch1][C][=O][C][C][Branch1][C][C][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][P][O][C][=Branch1][C][=O][C][C][Branch1][C][C][O][C][Branch1][C][C][=O][=C][Ring2][Ring2][Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C36H38O15/c1-18(37)15-28(43)49-36-32(25-9-13-27(42)14-10-25)34(50-29(44)16-19(2)46-21(4)38)33(48-23(6)40)31(24-7-11-26(41)12-8-24)35(36)51-30(45)17-20(3)47-22(5)39/h7-14,18-20,37,41-42H,15-17H2,1-6H3

Molecular Properties:
- Polar Surface Area: 219.0 Ų
- LogP: 3.7