Molecule ID: 53262810

IUPAC Name: 3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-2-methyl-1-benzofuran-5-ol

Description: The molecule is a member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 5, a methoxy group at position 6, a 3-hydroxy-4-methoxyphenyl group at position 3 and a methyl group at position 2. Isolated from Pterocarpus santalinus, it exhibits anti-inflammatory activity. It has a role as an anti-inflammatory agent and a plant metabolite. It is a member of 1-benzofurans, a polyphenol and an aromatic ether.

SMILES: COc1ccc(-c2c(C)oc3cc(OC)c(O)cc23)cc1O

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][Branch1][C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][O]

InChI: InChI=1S/C17H16O5/c1-9-17(10-4-5-14(20-2)12(18)6-10)11-7-13(19)16(21-3)8-15(11)22-9/h4-8,18-19H,1-3H3

Molecular Properties:
- Polar Surface Area: 72.1 Ų
- LogP: 3.6