Molecule ID: 10152

IUPAC Name: 1,4,5-trihydroxy-7-methoxy-2-methylanthracene-9,10-dione

Description: The molecule is a trihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1, 4 and 5, a methoxy group at position 7 and a methyl group at position 2. It has been isolated from Chaetomium globosum and other fungal species. It has a role as a fungal metabolite and a Chaetomium metabolite. It is an aromatic ether and a trihydroxyanthraquinone.

SMILES: COc1cc(O)c2c(c1)C(=O)c1c(O)c(C)cc(O)c1C2=O

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

InChI: InChI=1S/C16H12O6/c1-6-3-9(17)12-13(14(6)19)15(20)8-4-7(22-2)5-10(18)11(8)16(12)21/h3-5,17-19H,1-2H3

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 3.2