Molecule ID: 25178260

IUPAC Name: 4-(hydroxymethyl)-3-methyl-2H-furan-5-one

Description: The molecule is a butenolide that is furan-2(5H)-one substituted by a hydroxymethyl group at position 3 and a methyl group at position 4. Isolated from an edible mushroom Mycoleptodonoides aitchisonii, it exhibits protective activity against endoplasmic reticulum (ER) stress dependent cell death. It has a role as a metabolite and a neuroprotective agent. It is a butenolide and a primary alcohol.

SMILES: CC1=C(CO)C(=O)OC1

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

InChI: InChI=1S/C6H8O3/c1-4-3-9-6(8)5(4)2-7/h7H,2-3H2,1H3

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: -0.2