Molecule ID: 70678768

IUPAC Name: 2-(hydroxymethyl)-6-methylsulfinylbenzene-1,4-diol

Description: The molecule is a benzyl alcohol with hydroxy substituents at positions 2 and 5 and a methanesulfinyl group at position 3. It is a fungal secondary metabolite from Ampelomyces sp. SC0307 and has antibacterial activity against Escherichia coli, Pseudomonas aeruginosa and Proteus vulgaris. It has a role as a metabolite and an antibacterial agent. It is a sulfoxide, a member of benzyl alcohols and a member of hydroquinones.

SMILES: CS(=O)c1cc(O)cc(CO)c1O

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

InChI: InChI=1S/C8H10O4S/c1-13(12)7-3-6(10)2-5(4-9)8(7)11/h2-3,9-11H,4H2,1H3

Molecular Properties:
- Polar Surface Area: 97.0 Ų
- LogP: 0.0