Molecule ID: 52937071

IUPAC Name: (2R)-5,7-dihydroxy-2-methyl-2-[(2R)-5-oxooxolan-2-yl]-3H-chromen-4-one

Description: The molecule is an organic heterobicyclic compound that is 2,3-dihydro-4H-chromen-4-one substituted by hydroxy groups at positions 5 and 7, a methyl group at position 2 and a 5-oxotetrahydrofuran-2-yl group at position 2. Isolated from the endophytic fungus Microdiplodia species, it exhibits antibacterial activity. It has a role as a metabolite and an antibacterial agent. It is a chromanone, an organic heterobicyclic compound, a butan-4-olide and a member of resorcinols.

SMILES: C[C@]1([C@H]2CCC(=O)O2)CC(=O)c2c(O)cc(O)cc2O1

SELFIES: [C][C@][Branch1][O][C@H1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][Ring2][Ring1][Ring1]

InChI: InChI=1S/C14H14O6/c1-14(11-2-3-12(18)19-11)6-9(17)13-8(16)4-7(15)5-10(13)20-14/h4-5,11,15-16H,2-3,6H2,1H3/t11-,14-/m1/s1

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: 1.5