Molecule ID: 10483873

IUPAC Name: N-[[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenyl]-5-methoxyphenyl]methyl]-8-methylnonanamide

Description: The molecule is a capsaicinoid that is a dimer obtained by replacement of the hydrogen at position 5' of capsaicin with 6'',7''-dihydrocapsaicin. It is isolated from the dried fruits of Capsicum annuum and exhibits antioxidant activity. It has a role as an antioxidant and a plant metabolite. It is a capsaicinoid, a member of biphenyls, a monocarboxylic acid amide and a member of guaiacols.

SMILES: COc1cc(CN=C(O)CCCC/C=C/C(C)C)cc(-c2cc(CN=C(O)CCCCCCC(C)C)cc(OC)c2O)c1O

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

InChI: InChI=1S/C36H54N2O6/c1-25(2)15-11-7-9-13-17-33(39)37-23-27-19-29(35(41)31(21-27)43-5)30-20-28(22-32(44-6)36(30)42)24-38-34(40)18-14-10-8-12-16-26(3)4/h11,15,19-22,25-26,41-42H,7-10,12-14,16-18,23-24H2,1-6H3,(H,37,39)(H,38,40)/b15-11+

Molecular Properties:
- Polar Surface Area: 117.0 Ų
- LogP: 7.7