Molecule ID: 5358904

IUPAC Name: 1-hydroxy-3,6-dimethoxy-8-methylxanthen-9-one

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

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

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

InChI: InChI=1S/C16H14O5/c1-8-4-9(19-2)6-12-14(8)16(18)15-11(17)5-10(20-3)7-13(15)21-12/h4-7,17H,1-3H3

Molecular Properties:
- Polar Surface Area: 65.0 Ų
- LogP: 3.5