Molecule ID: 11823361

IUPAC Name: 2-(3,4-dihydroxyphenyl)ethyl (E)-4-formyl-3-(2-oxoethyl)hex-4-enoate

Description: The molecule is an enal, a member of catechols, a dialdehyde and a carboxylic ester. It has a role as a plant metabolite. It derives from a hydroxytyrosol.

SMILES: C/C=C(/C=O)C(CC=O)CC(=O)OCCc1ccc(O)c(O)c1

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

InChI: InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2-

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.1