Molecule ID: 25034673

IUPAC Name: 1,8-dihydroxy-3-methoxy-6-methylxanthen-9-one

Description: The molecule is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 8, a methoxy group at position 3 and a methyl group at position 6. It has been isolated from Microdiplodia species. It has a role as a metabolite. It is a member of xanthones, a polyphenol and an aromatic ether.

SMILES: COc1cc(O)c2c(=O)c3c(O)cc(C)cc3oc2c1

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

InChI: InChI=1S/C15H12O5/c1-7-3-9(16)13-11(4-7)20-12-6-8(19-2)5-10(17)14(12)15(13)18/h3-6,16-17H,1-2H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 3.1