Bioactive Compound Details

BioIDbio2855
NameNone
ChEMBL IDCHEMBL2205283
Molecular FormulaC24H30O12
Molecular Weight510.49
Molecular Weight (Monoisotopic)510.1737
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-Epi-Oxypaeonidanin
SmilesCO[C@@H]1O[C@@]2(C)CC(=O)[C@@H]3C[C@@]2(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]13COC(=O)c1ccc(O)cc1
InchiInChI=1S/C24H30O12/c1-22-8-14(27)13-7-24(22,35-20-18(30)17(29)16(28)15(9-25)34-20)23(13,21(32-2)36-22)10-33-19(31)11-3-5-12(26)6-4-11/h3-6,13,15-18,20-21,25-26,28-30H,7-10H2,1-2H3/t13-,15+,16+,17-,18+,20-,21+,22-,23-,24-/m0/s1
Inchi KeyWNFREEOKSZROFI-DYRKMNNHSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.29
Records Key['6']
Records Name['9-epi-oxypaeonidanin']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure