Molecule ID: 122635

IUPAC Name: 1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one

Description: The molecule is a member of the class of anthracenones that is anthracen-9(10H)-one which carries a methyl group at position 6 and hydroxy groups at positions 1, 3 and 8, respectively. It is an intermediate precursor in the synthesis of hypericin. It has a role as a fungal metabolite. It is an anthracenone and a member of phenols.

SMILES: Cc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O

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

InChI: InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 3.2