Molecule ID: 10083434

IUPAC Name: 4,5,7,8-tetrahydroxy-3,6-dimethylnaphthalene-1,2-dione

Description: The molecule is a naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy groups at positions 2, 5, 7,and 8 and methyl groups at positions 3 and 6. It is isolated from surface cultures of Aureobasidium and acts as a protease inhibitor. It has a role as a metabolite, a protease inhibitor and an antibacterial agent. It is a member of phenols and a hydroxy-1,4-naphthoquinone.

SMILES: CC1=C(O)c2c(O)c(C)c(O)c(O)c2C(=O)C1=O

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

InChI: InChI=1S/C12H10O6/c1-3-7(13)5-6(11(17)9(3)15)12(18)10(16)4(2)8(5)14/h13-15,17H,1-2H3

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: 1.6