Molecule ID: 130727

IUPAC Name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)pentan-1-one

Description: The molecule is a differentiation-inducing factor that is pentaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells. It has a role as a eukaryotic metabolite and a signalling molecule. It is a dichlorobenzene, a differentiation-inducing factor, a monomethoxybenzene and a member of resorcinols.

SMILES: CCCCC(=O)c1c(O)c(Cl)c(OC)c(Cl)c1O

SELFIES: [C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][O][O]

InChI: InChI=1S/C12H14Cl2O4/c1-3-4-5-6(15)7-10(16)8(13)12(18-2)9(14)11(7)17/h16-17H,3-5H2,1-2H3

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 4.0