Molecule ID: 115175

IUPAC Name: 5-tetradecoxyfuran-2-carboxylic acid

Description: The molecule is a member of the class of furans that is 2-furoic acid in which the hydrogen at position 5 is replaced by a tetradecyloxy group. It has a role as an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor, a PPARalpha agonist, an antineoplastic agent and an apoptosis inducer. It is a furoic acid and an aromatic ether. It derives from a 2-furoic acid.

SMILES: CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][Branch2]

InChI: InChI=1S/C19H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21/h14-15H,2-13,16H2,1H3,(H,20,21)

Molecular Properties:
- Polar Surface Area: 59.7 Ų
- LogP: 7.8