Molecule ID: 71296128

IUPAC Name: 4-methoxy-6-[(2R,3S)-3-phenyloxiran-2-yl]pyran-2-one

Description: The molecule is a pyranone that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3-phenyloxiran-2-yl group at position 6 (the 2R,3S stereoisomer). Isolated from Didymocarpus aurantiacus and Piper rusbyi, it exhibits antileishmanial activity. It has a role as an antileishmanial agent and a metabolite. It is an epoxide, an ether and a member of 2-pyranones.

SMILES: COc1cc([C@@H]2O[C@H]2c2ccccc2)oc(=O)c1

SELFIES: [C][O][C][C][=C][Branch1][=C][C@@H1][O][C@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=Ring1][S]

InChI: InChI=1S/C14H12O4/c1-16-10-7-11(17-12(15)8-10)14-13(18-14)9-5-3-2-4-6-9/h2-8,13-14H,1H3/t13-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 48.1 Ų
- LogP: 1.5