Molecule ID: 56597214

IUPAC Name: 3-[3-(4-hydroxy-3-methoxyphenyl)propyl]-2,6-dimethoxyphenol

Description: The molecule is a dimethoxybenzene that is 2,6-dimethoxyphenol substituted by a 3-(4-hydroxy-3-methoxyphenyl)propyl group at position 3. It has been isolated from the stems of Combretum griffithii and has been shown to exhibit anticancer activity. It has a role as an antineoplastic agent and a plant metabolite. It is a dimethoxybenzene and a polyphenol.

SMILES: COc1cc(CCCc2ccc(OC)c(O)c2OC)ccc1O

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

InChI: InChI=1S/C18H22O5/c1-21-15-10-8-13(18(23-3)17(15)20)6-4-5-12-7-9-14(19)16(11-12)22-2/h7-11,19-20H,4-6H2,1-3H3

Molecular Properties:
- Polar Surface Area: 68.2 Ų
- LogP: 3.9