Molecule ID: 14309394

IUPAC Name: methyl 2,8-dihydroxy-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 and an oxo group at position 9. It has been isolated from Chaetomium globosum. It has a role as a Chaetomium metabolite. It is a member of xanthones, a polyphenol, an aromatic ether and a methyl ester.

SMILES: COC(=O)c1c(O)ccc2oc3cccc(O)c3c(=O)c12

SELFIES: [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][=Ring1][N]

InChI: InChI=1S/C15H10O6/c1-20-15(19)12-8(17)5-6-10-13(12)14(18)11-7(16)3-2-4-9(11)21-10/h2-6,16-17H,1H3

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: 3.2