Bioactive Compound Details

BioIDbio2441
Name9-METHOXYSTROBILURIN B
ChEMBL IDCHEMBL1094264
Molecular FormulaC18H21ClO5
Molecular Weight352.81
Molecular Weight (Monoisotopic)352.1078
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNone
SmilesCO/C=C(C(=O)OC)\C(C)=C(/C=C/c1ccc(Cl)c(OC)c1)OC
InchiInChI=1S/C18H21ClO5/c1-12(14(11-21-2)18(20)24-5)16(22-3)9-7-13-6-8-15(19)17(10-13)23-4/h6-11H,1-5H3/b9-7+,14-11+,16-12+
Inchi KeyYMXFXCLZQAQAGG-WIMKLWOJSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities6.0
Np Likeness Score0.87
Records Key['1']
Records Name['9-methoxystrobilurin B']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure