Molecule ID: 11601663

IUPAC Name: 3-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-methoxyphenol

Description: The molecule is a stilbenoid that is trans-stilbene substituted by a hydroxy group at position 3 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 stilbenoid and a member of phenols.

SMILES: COc1cc(O)cc(/C=C/c2cccc(OC)c2OC)c1

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

InChI: InChI=1S/C17H18O4/c1-19-15-10-12(9-14(18)11-15)7-8-13-5-4-6-16(20-2)17(13)21-3/h4-11,18H,1-3H3/b8-7+

Molecular Properties:
- Polar Surface Area: 47.9 Ų
- LogP: 3.8