Molecule ID: 10355545

IUPAC Name: 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol

Description: The molecule is a member of the class of benzofurans that is 1-benzofuran substituted by a 2,4-dihydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea. It has a role as an anti-inflammatory agent, a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, a NF-kappaB inhibitor and a plant metabolite. It is a member of benzofurans and a member of resorcinols.

SMILES: C/C=C/c1ccc2oc(-c3ccc(O)cc3O)cc2c1

SELFIES: [C][/C][=C][/C][=C][C][=C][O][C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=C][C][Ring1][=N][=C][Ring1][P]

InChI: InChI=1S/C17H14O3/c1-2-3-11-4-7-16-12(8-11)9-17(20-16)14-6-5-13(18)10-15(14)19/h2-10,18-19H,1H3/b3-2+

Molecular Properties:
- Polar Surface Area: 53.6 Ų
- LogP: 4.3