Molecule ID: 14213215

IUPAC Name: 3-methoxy-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 2-methoxy-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 NF-kappaB inhibitor, a cyclooxygenase 2 inhibitor and a plant metabolite. It is a member of benzofurans, a member of phenols and a monomethoxybenzene.

SMILES: C/C=C/c1ccc2oc(-c3ccc(O)cc3OC)cc2c1

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

InChI: InChI=1S/C18H16O3/c1-3-4-12-5-8-16-13(9-12)10-18(21-16)15-7-6-14(19)11-17(15)20-2/h3-11,19H,1-2H3/b4-3+

Molecular Properties:
- Polar Surface Area: 42.6 Ų
- LogP: 4.6