Molecule ID: 53262726

IUPAC Name: (2S)-5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one

Description: The molecule is a trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 2' and a methyl group at position 8. Isolated from Pisonia aculeata, it exhibits antitubercular activity. It has a role as an antitubercular agent and a plant metabolite. It derives from a (2S)-flavanone.

SMILES: Cc1c(O)cc(O)c2c1O[C@H](c1ccccc1O)CC2=O

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

InChI: InChI=1S/C16H14O5/c1-8-11(18)6-12(19)15-13(20)7-14(21-16(8)15)9-4-2-3-5-10(9)17/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 2.8