Bioactive Compound Details

BioIDbio2658
Name9-O-GLUCOSYL-BERBERINE
ChEMBL IDCHEMBL2237572
Molecular FormulaC25H26NO9+
Molecular Weight484.48
Molecular Weight (Monoisotopic)484.1602
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNone
SmilesCOc1ccc2cc3[n+](cc2c1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CCc1cc2c(cc1-3)OCO2
InchiInChI=1S/C25H26NO9/c1-31-17-3-2-12-6-16-14-8-19-18(32-11-33-19)7-13(14)4-5-26(16)9-15(12)24(17)35-25-23(30)22(29)21(28)20(10-27)34-25/h2-3,6-9,20-23,25,27-30H,4-5,10-11H2,1H3/q+1/t20-,21-,22+,23-,25?/m1/s1
Inchi KeySJWILIZCDUEBQF-JVGOVNBASA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities5.0
Np Likeness Score1.91
Records Key['4a']
Records Name['9-O-glucosyl-berberine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure