Molecule ID: 54582272

IUPAC Name: (2R,3R)-3,5-dihydroxy-2-methyl-2,3-dihydrochromen-4-one

Description: The molecule is a chromanone that is 2,3-dihydro-4H-chromen-4-one substituted by hydroxy groups at positions 3 and 5 and a methyl group at position 2 (the 2R,3R stereoisomer). Isolated form the endophytic fungus Microdiplodia species, it exhibits antibacterial activity. It has a role as an antibacterial agent and a fungal metabolite. It is a member of phenols, a secondary alcohol, a chromanone and a secondary alpha-hydroxy ketone.

SMILES: C[C@H]1Oc2cccc(O)c2C(=O)[C@@H]1O

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

InChI: InChI=1S/C10H10O4/c1-5-9(12)10(13)8-6(11)3-2-4-7(8)14-5/h2-5,9,11-12H,1H3/t5-,9-/m1/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 1.5