Molecule ID: 5370536

IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid

Description: The molecule is a monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum). It has a role as a plant metabolite. It is a member of benzodioxoles and an alpha,beta-unsaturated monocarboxylic acid. It derives from an (E)-penta-2,4-dienoic acid.

SMILES: O=C(O)/C=C/C=C/c1ccc2c(c1)OCO2

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

InChI: InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 2.7