Molecule ID: 134692088

IUPAC Name: [5-[(3E,5E,7E)-undeca-3,5,7-trienyl]furan-2-yl] hydrogen carbonate

Description: The molecule is a carbonate ester resulting from the formal condensation of the hydroxy group of 5-(undeca-3,5,7-trien-1-yl)furan-2-ol with one of the hydroxy groups of carbonic acid. A metabolite of the endophytic fungus Emericellasp. XL029. The configuration of the double bonds of the undecatrienyl group is not stated. It has a role as an antifungal agent and a fungal metabolite. It derives from a 5-(undeca-3,5,7-trien-1-yl)furan-2-ol.

SMILES: CCC/C=C/C=C/C=C/CCc1ccc(OC(=O)O)o1

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

InChI: InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-15(19-14)20-16(17)18/h4-9,12-13H,2-3,10-11H2,1H3,(H,17,18)/b5-4+,7-6+,9-8+

Molecular Properties:
- Polar Surface Area: 59.7 Ų
- LogP: 5.0