Molecule ID: 5378284

IUPAC Name: 8-hydroxy-1,2,6-trimethoxyxanthen-9-one

Description: The molecule is a member of the class of xanthones that is xanthone substituted by a hydroxy group at position 1 and methoxy groups at positions 1, 2 and 6. It has been isolated from Centaurium erythraea and Gentiana verna. It has a role as a plant metabolite. It is a member of xanthones, an aromatic ether and a member of phenols.

SMILES: COc1cc(O)c2c(=O)c3c(OC)c(OC)ccc3oc2c1

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

InChI: InChI=1S/C16H14O6/c1-19-8-6-9(17)13-12(7-8)22-10-4-5-11(20-2)16(21-3)14(10)15(13)18/h4-7,17H,1-3H3

Molecular Properties:
- Polar Surface Area: 74.2 Ų
- LogP: 3.1