Molecule ID: 3840

IUPAC Name: 5-hydroxy-2-(hydroxymethyl)pyran-4-one

Description: The molecule is a pyranone that is 4H-pyran substituted by a hydroxy group at position 5, a hydroxymethyl group at position 2 and an oxo group at position 4. It has been isolated from the fungus Aspergillus oryzae. It has a role as a NF-kappaB inhibitor, an Aspergillus metabolite, a skin lightening agent, an EC 1.10.3.1 (catechol oxidase) inhibitor, an EC 1.10.3.2 (laccase) inhibitor, an EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor, an EC 1.14.18.1 (tyrosinase) inhibitor and an EC 1.4.3.3 (D-amino-acid oxidase) inhibitor. It is an enol, a primary alcohol and a member of 4-pyranones. It derives from a hydride of a 4H-pyran.

SMILES: O=c1cc(CO)occ1O

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

InChI: InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: -0.9