Bioactive Compound Details

BioIDbio2349
NameNone
ChEMBL IDCHEMBL459422
Molecular FormulaC23H31NO4
Molecular Weight385.5
Molecular Weight (Monoisotopic)385.2253
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-Methoxy 16(R),E-Isositsirikine
SmilesC/C=C1\CC2CCC3c4c(cccc4OC)NC3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC
InchiInChI=1S/C23H31NO4/c1-4-13-10-14-8-9-15-21-19(6-5-7-20(21)27-2)24-22(15)17(14)11-16(13)18(12-25)23(26)28-3/h4-7,14-18,22,24-25H,8-12H2,1-3H3/b13-4+/t14?,15?,16-,17+,18-,22?/m0/s1
Inchi KeyPGOBOWWFWXOGHZ-FCJHPKDCSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities6.0
Np Likeness Score2.01
Records Key['45']
Records Name['9-methoxy 16(R),E-isositsirikine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure