Molecule ID: 118796925

IUPAC Name: 3-hydroxy-2-methyl-1-oxido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]quinolin-1-ium-4-one

Description: The molecule is a member of the class of quinoline N-oxides that is 3-hydroxy-2-methyl-1-oxo-1lambda(5)-quinolin-4-one carrying an additional (2E,6E)-farnesyl group at position 3. It has a role as a bacterial metabolite. It is a quinolone, a quinoline N-oxide, an olefinic compound, a tertiary alcohol and a tertiary alpha-hydroxy ketone.

SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1(O)C(=O)c2ccccc2[N+]([O-])=C1C

SELFIES: [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Ring1][=N][C]

InChI: InChI=1S/C25H33NO3/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-25(28)21(5)26(29)23-15-7-6-14-22(23)24(25)27/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+

Molecular Properties:
- Polar Surface Area: 66.0 Ų
- LogP: 5.1