Bioactive Compound Details

BioIDbio2272
NameNone
ChEMBL IDCHEMBL1834806
Molecular FormulaC37H48O6
Molecular Weight588.79
Molecular Weight (Monoisotopic)588.3451
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsEgonol-9(Z),12(Z)-Linoleate
SmilesCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1
InchiInChI=1S/C37H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h7-8,10-11,21-22,24-27H,3-6,9,12-20,23,28H2,1-2H3/b8-7-,11-10-
Inchi KeyNHCDDUNWYVJRPS-NQLNTKRDSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities4.0
Np Likeness Score0.74
Records Key['1']
Records Name['egonol-9(Z),12(Z)linoleate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure