Molecule ID: 11558520

IUPAC Name: 4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2,3-dimethoxyphenol

Description: The molecule is a stilbenoid that is trans-stilbene substituted by hydroxy groups at positions 3 and 4' and methoxy groups at positions 2', 3' and 5. Isolated from Pholidota yunnanensis, it exhibits inhibitory effects on production of nitric oxide. It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a member of methoxybenzenes, a polyphenol and a stilbenoid.

SMILES: COc1cc(O)cc(/C=C/c2ccc(O)c(OC)c2OC)c1

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

InChI: InChI=1S/C17H18O5/c1-20-14-9-11(8-13(18)10-14)4-5-12-6-7-15(19)17(22-3)16(12)21-2/h4-10,18-19H,1-3H3/b5-4+

Molecular Properties:
- Polar Surface Area: 68.2 Ų
- LogP: 3.4