Bioactive Compound Details

BioIDbio2411
NameNone
ChEMBL IDCHEMBL1094583
Molecular FormulaC27H36O7
Molecular Weight472.58
Molecular Weight (Monoisotopic)472.2461
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-Methoxystrobilurin G
SmilesCO/C=C(C(=O)OC)\C(C)=C(/C=C/c1ccc2c(c1)OC(C)(C)[C@@H](OCC=C(C)C)CO2)OC
InchiInChI=1S/C27H36O7/c1-18(2)13-14-32-25-17-33-23-12-10-20(15-24(23)34-27(25,4)5)9-11-22(30-7)19(3)21(16-29-6)26(28)31-8/h9-13,15-16,25H,14,17H2,1-8H3/b11-9+,21-16+,22-19+/t25-/m0/s1
Inchi KeyFCKHMZCSAWCZBY-VBYGWWGASA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities6.0
Np Likeness Score1.89
Records Key['2']
Records Name['9-methoxystrobilurin G']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure