Molecule ID: 155497

IUPAC Name: 6-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one

Description: The molecule is a furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 4 an 6 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. Also known as neopatulin, it is a mycotoxic substance produced by Aspergillus and Penicillium species. It has a role as a mycotoxin, an antibacterial agent and a Penicillium metabolite. It is a gamma-lactone, a furopyran and a lactol.

SMILES: O=C1C=C2COC(O)C=C2O1

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

InChI: InChI=1S/C7H6O4/c8-6-2-5-4(3-10-6)1-7(9)11-5/h1-2,6,8H,3H2

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: -1.0