Molecule ID: 24796111

IUPAC Name: (E)-3-[5-(2-hydroxy-5-prop-2-enylphenyl)-2-methoxyphenyl]prop-2-enal

Description: The molecule is a lignan that consists of cinnamaldehyde substituted by a methoxy group at position 2 and a 4-allylphenolic group at position 5. Isolated from Magnolia obovata, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a lignan, a monomethoxybenzene, an enal and a member of hydroxybiphenyls. It derives from an (E)-cinnamaldehyde.

SMILES: C=CCc1ccc(O)c(-c2ccc(OC)c(/C=C/C=O)c2)c1

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

InChI: InChI=1S/C19H18O3/c1-3-5-14-7-9-18(21)17(12-14)15-8-10-19(22-2)16(13-15)6-4-11-20/h3-4,6-13,21H,1,5H2,2H3/b6-4+

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 4.1