Molecule ID: 6261723

IUPAC Name: 4-[3-methyl-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, a methyl group at position 3 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 phenols.

SMILES: C/C=C/c1ccc2oc(-c3ccc(O)cc3)c(C)c2c1

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

InChI: InChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3/b4-3+

Molecular Properties:
- Polar Surface Area: 33.4 Ų
- LogP: 5.0