Molecule ID: 10334054

IUPAC Name: [1,2,4-trihydroxy-5-(4-methoxyphenyl)pentan-3-yl] acetate

Description: The molecule is a pentitol derivative that is 3-O-acetyl-1-deoxypentitol substituted by a 4-methoxyphenyl group at position 1. Isolated from the fermentation broth of Pseudomonas fluorescens and Pseudomonas putida, it exhibits anti-HSV-1 activity. It has a role as a metabolite and an anti-HSV-1 agent. It is a monomethoxybenzene, a triol, an acetate ester and a pentitol derivative.

SMILES: COc1ccc(CC(O)C(OC(C)=O)C(O)CO)cc1

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

InChI: InChI=1S/C14H20O6/c1-9(16)20-14(13(18)8-15)12(17)7-10-3-5-11(19-2)6-4-10/h3-6,12-15,17-18H,7-8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 0.2