Molecule ID: 5359039

IUPAC Name: 2,4,5-trichloro-1,3,6-trihydroxy-8-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, 3 and 6, chloro groups at positions 2, 4 and 5 and a methyl group at position 8. It has been isolated from the lichen, Lecanora iseana. It has a role as a lichen metabolite. It is a member of xanthones, a polyphenol and an organochlorine compound.

SMILES: Cc1cc(O)c(Cl)c2oc3c(Cl)c(O)c(Cl)c(O)c3c(=O)c12

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

InChI: InChI=1S/C14H7Cl3O5/c1-3-2-4(18)7(15)13-5(3)10(19)6-11(20)8(16)12(21)9(17)14(6)22-13/h2,18,20-21H,1H3

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 4.7