Molecule ID: 4696

IUPAC Name: 4-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 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic. It has a role as an antimicrobial agent, a mycotoxin, a carcinogenic agent, a mutagen, a Penicillium metabolite and an Aspergillus metabolite. It is a furopyran, a lactol and a gamma-lactone.

SMILES: O=C1C=C2C(=CCOC2O)O1

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

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

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