Molecule ID: 23786313

IUPAC Name: methyl 3,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate

Description: The molecule is a member of the class of xanthones that is 9H-xanthene substituted by a methyl group at position 6, hydroxy groups at positions 3 and 8, an oxo group at position 9 and a methoxy carbonyl at position 1. It has been isolated from Microdiplodia species and Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a member of xanthones, a polyphenol, an aromatic ester and a methyl ester.

SMILES: COC(=O)c1cc(O)cc2oc3cc(C)cc(O)c3c(=O)c12

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

InChI: InChI=1S/C16H12O6/c1-7-3-10(18)14-11(4-7)22-12-6-8(17)5-9(16(20)21-2)13(12)15(14)19/h3-6,17-18H,1-2H3

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: 3.0