Bioactive Compound Details

BioIDbio199837
NameNone
ChEMBL IDCHEMBL464654
Molecular FormulaC26H26O11
Molecular Weight514.48
Molecular Weight (Monoisotopic)514.1475
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2' ',6' '-O-Diacetyloninin
SmilesCOc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4OC(C)=O)ccc3c2=O)cc1
InchiInChI=1S/C26H26O11/c1-13(27)33-12-21-23(30)24(31)25(35-14(2)28)26(37-21)36-17-8-9-18-20(10-17)34-11-19(22(18)29)15-4-6-16(32-3)7-5-15/h4-11,21,23-26,30-31H,12H2,1-3H3/t21-,23-,24+,25-,26-/m1/s1
Inchi KeyWAYQNCRYBDCMOP-XDXGNBCUSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities6.0
Np Likeness Score1.47
Records Key['3']
Records Name[2' ',6' '-O-diacetyloninin"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure