Molecule ID: 6439171

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

Description: The molecule is a C-type aurachin that is quinolin-4-one which is substituted by a hydroxy group at positions 1, a methyl group at position 2, and a triprenyl group at position 3. It has a role as a bacterial metabolite, an EC 1.8.5.4 (sulfide:quinone reductase) inhibitor and an antibacterial agent. It is a C-type aurachin, a member of hydroxylamines, a quinolone and an organic heterobicyclic compound.

SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)n(O)c2ccccc2c1=O

SELFIES: [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][C][N][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O]

InChI: InChI=1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26(28)24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 7.2