Molecule ID: 70697742

IUPAC Name: 2-butoxy-5-(5-butoxyfuran-2-yl)furan

Description: The molecule is a ring assembly that consists of 2,2'-bifuran substituted by butoxy groups at positions 5 and 5' respectively. It is isolated from the aerial parts of Chrysanthemum coronarium and acts as an inhibitor of human AcylCoA:cholesterol acyltransferase hACAT-1 and hACAT-2. It has a role as a metabolite and an EC 2.3.1.26 (sterol O-acyltransferase) inhibitor. It is a member of furans, a ring assembly and an ether.

SMILES: CCCCOc1ccc(-c2ccc(OCCCC)o2)o1

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

InChI: InChI=1S/C16H22O4/c1-3-5-11-17-15-9-7-13(19-15)14-8-10-16(20-14)18-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3

Molecular Properties:
- Polar Surface Area: 44.7 Ų
- LogP: 4.9