Bioactive Compound Details

BioIDbio2236
Name9-O-ARABINOSYL-BERBERINE
ChEMBL IDCHEMBL2237571
Molecular FormulaC24H24NO8+
Molecular Weight454.46
Molecular Weight (Monoisotopic)454.1496
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNone
SmilesCOc1ccc2cc3[n+](cc2c1OC1OC[C@@H](O)[C@@H](O)[C@@H]1O)CCc1cc2c(cc1-3)OCO2
InchiInChI=1S/C24H24NO8/c1-29-18-3-2-12-6-16-14-8-20-19(31-11-32-20)7-13(14)4-5-25(16)9-15(12)23(18)33-24-22(28)21(27)17(26)10-30-24/h2-3,6-9,17,21-22,24,26-28H,4-5,10-11H2,1H3/q+1/t17-,21-,22+,24?/m1/s1
Inchi KeyTXVSGSHYYXSCHF-BJLVLJKXSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities5.0
Np Likeness Score1.78
Records Key['4b']
Records Name['9-O-arabinosyl-berberine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure