Molecule ID: 9839519

IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl (E)-8-methylnon-6-enoate

Description: The molecule is a carboxylic ester obtained by formal condensation of the carboxy group of (6E)-8-methylnon-6-enoic acid with the benzylic hydroxy group of vanillyl alcohol. A non-pungent analogue of capsaicin with a similar biological profile. It has a role as a plant metabolite, a hypoglycemic agent, an anti-allergic agent, an antioxidant, an angiogenesis inhibitor, an anti-inflammatory agent and a capsaicin receptor agonist. It is a carboxylic ester, a monomethoxybenzene and a member of phenols. It derives from a vanillyl alcohol.

SMILES: COc1cc(COC(=O)CCCC/C=C/C(C)C)ccc1O

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

InChI: InChI=1S/C18H26O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h6,8,10-12,14,19H,4-5,7,9,13H2,1-3H3/b8-6+

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 4.2