Molecule ID: 11370316

IUPAC Name: (2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one

Description: The molecule is a pyranone isolated from the trunk barks of Cryptocarya obovata and has been shown to exhibit cytotoxicity against the KB cell line. It has a role as an antineoplastic agent and a plant metabolite. It is a member of 2-pyranones and a member of 4-pyranones.

SMILES: O=C1C=C(/C=C/c2ccccc2)O[C@H](C[C@H]2CC=CC(=O)O2)C1

SELFIES: [O][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Branch1][=N][C][C@H1][C][C][=C][C][=Branch1][C][=O][O][Ring1][#Branch1][C][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C19H18O4/c20-15-11-17(10-9-14-5-2-1-3-6-14)22-18(12-15)13-16-7-4-8-19(21)23-16/h1-6,8-11,16,18H,7,12-13H2/b10-9+/t16-,18+/m1/s1

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 3.2