Molecule ID: 51039177

IUPAC Name: 6-[(E)-1-hydroxybut-2-en-2-yl]-5-(hydroxymethyl)-4-methoxypyran-2-one

Description: The molecule is a member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a (2E)-1-hydroxybut-2-en-2-yl group at position 6, a hydroxymethyl group at position 5 and a methoxy group at position 4. It has been isolated from the solid-fermentation culture of Chaetomium globosum and has been shown to exhibit antibacterial activity. It has a role as an antibacterial agent and a Chaetomium metabolite. It is a member of 2-pyranones and a diol.

SMILES: C/C=C(\CO)c1oc(=O)cc(OC)c1CO

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

InChI: InChI=1S/C11H14O5/c1-3-7(5-12)11-8(6-13)9(15-2)4-10(14)16-11/h3-4,12-13H,5-6H2,1-2H3/b7-3+

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: -0.5