Molecule ID: 85888829

IUPAC Name: 5,7-dihydroxy-2-methoxy-3-methylnaphthalene-1,4-dione

Description: The molecule is a member of the class of naphthoquinones that is 2-O-methylflaviolin in which the hydrogen at position 3 is replaced by a methyl group. It has a role as a bacterial metabolite. It is a member of phenols, an enol ether and a hydroxy-1,4-naphthoquinone. It derives from a flaviolin. It is a conjugate acid of a 2-O,3-dimethylflaviolin-7-olate.

SMILES: COC1=C(C)C(=O)c2c(O)cc(O)cc2C1=O

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

InChI: InChI=1S/C12H10O5/c1-5-10(15)9-7(11(16)12(5)17-2)3-6(13)4-8(9)14/h3-4,13-14H,1-2H3

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 1.8