Molecule ID: 480777

IUPAC Name: 4-[4,6-dimethoxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol

Description: The molecule is a member of the class of 1-benzofurans which consists of 1-benzofuran substituted by methoxy groups at positions 4 and 6, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis. It has a role as an antibacterial agent and a plant metabolite. It is a member of 1-benzofurans, an aromatic ether and a member of resorcinols. It derives from a hydride of a 1-benzofuran.

SMILES: COc1cc2oc(-c3ccc(O)cc3O)cc2c(OC)c1CC=C(C)C

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

InChI: InChI=1S/C21H22O5/c1-12(2)5-7-15-18(24-3)11-20-16(21(15)25-4)10-19(26-20)14-8-6-13(22)9-17(14)23/h5-6,8-11,22-23H,7H2,1-4H3

Molecular Properties:
- Polar Surface Area: 72.1 Ų
- LogP: 5.1