Molecule ID: 442614

IUPAC Name: (9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one

Description: The molecule is the (-)-enantiomer of usnic acid. It has a role as an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor. It is a conjugate acid of a (-)-usnic acid(2-). It is an enantiomer of a (+)-usnic acid.

SMILES: CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O

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

InChI: InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 2.1