Molecule ID: 53483951

IUPAC Name: 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol

Description: The molecule is a member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl 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 plant metabolite and a NF-kappaB inhibitor. It is a member of benzofurans and a member of phenols.

SMILES: C/C=C/c1ccc2oc(-c3ccc(O)cc3)cc2c1

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

InChI: InChI=1S/C17H14O2/c1-2-3-12-4-9-16-14(10-12)11-17(19-16)13-5-7-15(18)8-6-13/h2-11,18H,1H3/b3-2+

Molecular Properties:
- Polar Surface Area: 33.4 Ų
- LogP: 4.6