Molecule ID: 25058081

IUPAC Name: 4-chloro-1,3-dihydroxy-8-methoxy-2-[(2R,6R)-6-methyloxan-2-yl]xanthen-9-one

Description: The molecule is a member of the class xanthones that is 9H-xanthen-9-one substituted by a chloro group at position 4, hydroxy groups at positions 1 and 3, a methoxy group at position 8 and a (2R,6R)-6-methyltetrahydropyran-2-yl group at position 2. It is isolated from the marine derived fungus Chaetomium and has antiprotozoal activity. It has a role as a metabolite and an antiprotozoal drug. It is a member of xanthones, a member of phenols, an organochlorine compound and a member of pyrans.

SMILES: COc1cccc2oc3c(Cl)c(O)c([C@H]4CCC[C@@H](C)O4)c(O)c3c(=O)c12

SELFIES: [C][O][C][=C][C][=C][C][O][C][=C][Branch1][C][Cl][C][Branch1][C][O][=C][Branch1][N][C@H1][C][C][C][C@@H1][Branch1][C][C][O][Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][S][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][=Ring2][Ring1][Branch1]

InChI: InChI=1S/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 4.4