Molecule ID: 11334308

IUPAC Name: methyl 2-[(4-methylphenyl)methylamino]benzoate

Description: The molecule is a benzoate ester obtained by the fromal condensation of the carboxy group of onosmin A with methanol. Isolated from Onosma hispida, it exhibits inhibitory activity against lipoxygenase. It has a role as a metabolite and a lipoxygenase inhibitor. It is a secondary amino compound and a benzoate ester. It derives from an onosmin A.

SMILES: COC(=O)c1ccccc1NCc1ccc(C)cc1

SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C16H17NO2/c1-12-7-9-13(10-8-12)11-17-15-6-4-3-5-14(15)16(18)19-2/h3-10,17H,11H2,1-2H3

Molecular Properties:
- Polar Surface Area: 38.3 Ų
- LogP: 4.2