Molecule ID: 44559107

IUPAC Name: 5-hydroxy-6-(3-methylbut-2-enyl)-2-[(E)-pent-1-enyl]-1-benzofuran-4-carbaldehyde

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 prenyl group at position 6 and a pent-1-en-1-yl group at position 2. Isolated from Chaetomium globosum, it exhibits radical scavenging activity. It has a role as a radical scavenger and a Chaetomium metabolite. It is a member of 1-benzofurans, an aldehyde and a member of phenols.

SMILES: CCC/C=C/c1cc2c(C=O)c(O)c(CC=C(C)C)cc2o1

SELFIES: [C][C][C][/C][=C][/C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][O][=C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][Ring1][=C][O][Ring1][P]

InChI: InChI=1S/C19H22O3/c1-4-5-6-7-15-11-16-17(12-20)19(21)14(9-8-13(2)3)10-18(16)22-15/h6-8,10-12,21H,4-5,9H2,1-3H3/b7-6+

Molecular Properties:
- Polar Surface Area: 50.4 Ų
- LogP: 5.9