Molecule ID: 5377796

IUPAC Name: methyl 2,8-dihydroxy-6-methyl-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 groups at positions 2 and 8, a methyl group at position 6 and an oxo group at position 9. It has been isolated from Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a member of xanthones, a carboxylic ester and a polyphenol.

SMILES: COC(=O)c1c(O)ccc2oc3cc(C)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][C][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][C][=Ring1][=N]

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

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: 3.6