Molecule ID: 45359153

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

Description: The molecule is a member of the class of xanthones that is methyl 9H-xanthene-1-carboxylate substituted by hydroxy group 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. It is an aromatic ester, a polyphenol and a member of xanthones.

SMILES: COC(=O)c1c(O)ccc2oc3cc(CO)cc(O)c3c(=O)c12

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

InChI: InChI=1S/C16H12O7/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/h2-5,17-19H,6H2,1H3

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 2.3