Molecule ID: 23659586

IUPAC Name: (2-methoxy-2-oxoethyl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Description: The molecule is a cinnamate ester obtained by the condensation of trans-caffeic acid with methyl hydroxyacetate. It is isolated from the leaves of Parthenocissus tricuspidata and exhibits antioxidant activity. It has a role as a radical scavenger and a plant metabolite. It is a cinnamate ester, a member of catechols and a methyl ester. It derives from a trans-caffeic acid and a glycolic acid.

SMILES: COC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1

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

InChI: InChI=1S/C12H12O6/c1-17-12(16)7-18-11(15)5-3-8-2-4-9(13)10(14)6-8/h2-6,13-14H,7H2,1H3/b5-3+

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: 1.4