Molecule ID: 99188

IUPAC Name: 1,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione

Description: The molecule is a member of the class of tetraphenes that is tetraphene-7,12-dione substituted by hydroxy groups at positions 1 and 8 and a methyl group at position 3. It has a role as a bacterial metabolite. It is a member of tetraphenes, a member of phenols and a member of p-quinones.

SMILES: Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(O)cccc1C3=O

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

InChI: InChI=1S/C19H12O4/c1-9-7-10-5-6-12-17(15(10)14(21)8-9)19(23)11-3-2-4-13(20)16(11)18(12)22/h2-8,20-21H,1H3

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 4.3