Bioactive Compound Details

BioIDbio2417
NameNone
ChEMBL IDCHEMBL503350
Molecular FormulaC35H62O7
Molecular Weight594.87
Molecular Weight (Monoisotopic)594.4496
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAnnoreticuin-9-One
SmilesCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCC(=O)CCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1
InchiInChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27-,30+,31+,32+,33+,34+/m0/s1
Inchi KeyQCICHLFBIUXRKT-DOXWYWRGSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities7.0
Np Likeness Score1.89
Records Key['4']
Records Name['Annoreticuin-9-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure