Molecule ID: 5472392

IUPAC Name: methyl (1R,2R)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate

Description: The molecule is a member of the class of xanthones that is methyl (1S)-2,9-dihydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 2 and 8, a hydroxymethyl group at position 6 and an oxo group at position 9. It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has a role as an Aspergillus metabolite and an antioxidant. It is a member of xanthones, a member of phenols, an aromatic primary alcohol, a methyl ester and a secondary alcohol.

SMILES: COC(=O)[C@@H]1c2c(oc3cc(CO)cc(O)c3c2=O)C=C[C@H]1O

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

InChI: InChI=1S/C16H14O7/c1-22-16(21)13-8(18)2-3-10-14(13)15(20)12-9(19)4-7(6-17)5-11(12)23-10/h2-5,8,13,17-19H,6H2,1H3/t8-,13+/m1/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 1.0