Molecule ID: 160478

IUPAC Name: 4,5,7-trihydroxynaphthalene-1,2-dione

Description: The molecule is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone having three hydroxy substituents placed at the 2-, 5- and 7-positions. It has a role as an Aspergillus metabolite. It is a conjugate acid of a flaviolin-2-olate.

SMILES: O=C1C=C(O)c2c(O)cc(O)cc2C1=O

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

InChI: InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-13H

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 0.7