Molecule ID: 10467187

IUPAC Name: (E)-3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid

Description: The molecule is a hydroxycinnamic acid that is trans-caffeic acid substituted by a prenyl group at position 5. Isolated from Brazilian propolis, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It derives from a trans-caffeic acid.

SMILES: CC(C)=CCc1cc(/C=C/C(=O)O)cc(O)c1O

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

InChI: InChI=1S/C14H16O4/c1-9(2)3-5-11-7-10(4-6-13(16)17)8-12(15)14(11)18/h3-4,6-8,15,18H,5H2,1-2H3,(H,16,17)/b6-4+

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 3.1