Bioactive Compound Details

BioIDbio2164
NameZURETINOL
ChEMBL IDCHEMBL4802238
Molecular FormulaC20H30O
Molecular Weight286.46
Molecular Weight (Monoisotopic)286.2297
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-CIS-RETINOL|9-CIS-VITAMIN A ALCOHOL|RETINOL, 9-CIS-|ZURETINOL
SmilesCC1=C(/C=C/C(C)=C\C=C\C(C)=C\CO)C(C)(C)CCC1
InchiInChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8-,17-13+
Inchi KeyFPIPGXGPPPQFEQ-MKOSUFFBSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score2.61
Records Key['ZURETINOL']
Records Name['ZURETINOL']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure