Molecule ID: 14412216

IUPAC Name: 3,6,8,9-tetrahydroxy-3-methyl-2,4-dihydroanthracen-1-one

Description: The molecule is a member of the class of anthracenones that is 3,4-dihydroanthracen-1(2H)-one which carries a methyl group at position 3 and hydroxy groups at positions 3, 6, 8, and 9, respectively. It has a role as an Aspergillus metabolite. It is a member of phenols, an anthracenone, a tertiary alcohol, a beta-hydroxy ketone and a polyketide.

SMILES: CC1(O)CC(=O)c2c(cc3cc(O)cc(O)c3c2O)C1

SELFIES: [C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][O][C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C15H14O5/c1-15(20)5-8-2-7-3-9(16)4-10(17)12(7)14(19)13(8)11(18)6-15/h2-4,16-17,19-20H,5-6H2,1H3

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 2.0