Bioactive Compound Details

BioIDbio2797
Name9-O-ERYTHROL-BERBERINE
ChEMBL IDCHEMBL2237570
Molecular FormulaC23H24NO7+
Molecular Weight426.45
Molecular Weight (Monoisotopic)426.1547
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNone
SmilesCOc1ccc2cc3[n+](cc2c1OC[C@H](O)[C@H](O)CO)CCc1cc2c(cc1-3)OCO2
InchiInChI=1S/C23H24NO7/c1-28-20-3-2-13-6-17-15-8-22-21(30-12-31-22)7-14(15)4-5-24(17)9-16(13)23(20)29-11-19(27)18(26)10-25/h2-3,6-9,18-19,25-27H,4-5,10-12H2,1H3/q+1/t18-,19+/m1/s1
Inchi KeyLJCOGHDZOUNXNR-MOPGFXCFSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities5.0
Np Likeness Score1.42
Records Key['4c']
Records Name['9-O-erythrol-berberine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure