Molecule ID: 135993298

IUPAC Name: 4,6,7-trihydroxy-3-methylnaphthalene-1,2-dione

Description: The molecule is a naphthoquinone that is naphthalene-1,4-dione substituted by hydroxy groups at positions 2, 6 and 7 and a methyl group at position 3. It has been isolated from Penicillium purpurogenum. It has a role as a Penicillium metabolite. It is a member of phenols and a hydroxy-1,4-naphthoquinone.

SMILES: CC1=C(O)c2cc(O)c(O)cc2C(=O)C1=O

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

InChI: InChI=1S/C11H8O5/c1-4-9(14)5-2-7(12)8(13)3-6(5)11(16)10(4)15/h2-3,12-14H,1H3

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 0.5