Molecule ID: 9883541

IUPAC Name: 7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-1H-pyrano[4,3-b]chromene-9-carboxylic acid

Description: The molecule is an organic heterotricyclic compound that is 1H,10H-pyrano[4,3-b]chromene substituted by hydroxy groups at positions 7 and 8, a methoxy group at position 1, a methyl group at position 3 and an oxo group at position 10. Isolated from Chaetomium funicola, it exhibits inhibitory activity against metallo-beta-lactamases. It has a role as a Chaetomium metabolite and an EC 3.5.2.6 (beta-lactamase) inhibitor. It is a member of catechols, a cyclic ether, a cyclic ketone, a monocarboxylic acid and an organic heterotricyclic compound.

SMILES: COC1OC(C)=Cc2oc3cc(O)c(O)c(C(=O)O)c3c(=O)c21

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

InChI: InChI=1S/C15H12O8/c1-5-3-7-10(15(21-2)22-5)13(18)9-8(23-7)4-6(16)12(17)11(9)14(19)20/h3-4,15-17H,1-2H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: 1.3