Molecule ID: 146672232

IUPAC Name: (1R,2R)-2,8-dihydroxy-3-methyl-9-oxo-1,2-dihydroxanthene-1-carboxylic acid

Description: The molecule is a member of the class of xanthones that is 1,2-dihydro-9H-xanthen-9-one substituted by a carboxy group at position 1R, hydroxy groups at positions 2R and 8, and a methyl group at position 3. It has been isolated from the fungus Paecilomyces variotti. It has a role as a fungal metabolite. It is a monocarboxylic acid, a member of phenols, a secondary alcohol and a member of xanthones.

SMILES: CC1=Cc2oc3cccc(O)c3c(=O)c2[C@@H](C(=O)O)[C@H]1O

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

InChI: InChI=1S/C15H12O6/c1-6-5-9-11(12(13(6)17)15(19)20)14(18)10-7(16)3-2-4-8(10)21-9/h2-5,12-13,16-17H,1H3,(H,19,20)/t12-,13+/m1/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 1.4