Molecule ID: 22357942

IUPAC Name: 2-(1,4-dihydroxybutan-2-yl)-1,3,6,8-tetrahydroxyanthracene-9,10-dione

Description: The molecule is a polyphenol that is 9,10-anthraquinone substituted at positions 1, 3, 6 and 8 by hydroxy groups and at position 2 by a 1,4-dihydroxybutan-2-yl group. It has a role as an Aspergillus metabolite. It is a polyphenol and a tetrahydroxyanthraquinone.

SMILES: O=C1c2cc(O)cc(O)c2C(=O)c2c1cc(O)c(C(CO)CCO)c2O

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

InChI: InChI=1S/C18H16O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-5,7,19-23,25H,1-2,6H2

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: 1.0