Molecule ID: 9860695

IUPAC Name: 7,8-dihydroxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid

Description: The molecule is a pyridochromene that is 10H-chromeno[3,2-c]pyridine substituted by hydroxy groups at positions 7 and 8, a methyl group at position 3, an oxo group at position 10 and a carboxy group at position 9. Isolated from Chaetomium funicola, it exhibits inhibitory activity against metallo-beta-lactamases. It has a role as an EC 3.5.2.6 (beta-lactamase) inhibitor and a Chaetomium metabolite. It is a pyridochromene, a monocarboxylic acid, a member of catechols and a cyclic ketone.

SMILES: Cc1cc2oc3cc(O)c(O)c(C(=O)O)c3c(=O)c2cn1

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

InChI: InChI=1S/C14H9NO6/c1-5-2-8-6(4-15-5)12(17)10-9(21-8)3-7(16)13(18)11(10)14(19)20/h2-4,16,18H,1H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 117.0 Ų
- LogP: 1.7