Molecule ID: 17757653

IUPAC Name: 2-(6-ethoxy-6-oxohexyl)-3-methylidenebutanedioic acid

Description: The molecule is a tensyuic acid that is tensyuic acid B in which the methyl ester group has been replaced by an ethyl ester group. The (-) isomer. In contrast to (inactive) tensyuic acid B, tensyuic acid C shows moderate antimicrobial activity against Bacillus subtilis. It has a role as an Aspergillus metabolite and an antibacterial agent. It is a tensyuic acid, an ethyl ester and a dicarboxylic acid.

SMILES: C=C(C(=O)O)C(CCCCCC(=O)OCC)C(=O)O

SELFIES: [C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][=N][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C13H20O6/c1-3-19-11(14)8-6-4-5-7-10(13(17)18)9(2)12(15)16/h10H,2-8H2,1H3,(H,15,16)(H,17,18)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.9