Bioactive Compound Details

BioIDbio198342
Name2-Exo-hexoxy-1,4-cineole
ChEMBL IDCHEMBL2229481
Molecular FormulaC16H28O3
Molecular Weight268.4
Molecular Weight (Monoisotopic)268.2038
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCCCCCC(=O)O[C@@H]1C[C@@]2(C(C)C)CC[C@@]1(C)O2
InchiInChI=1S/C16H28O3/c1-5-6-7-8-14(17)18-13-11-16(12(2)3)10-9-15(13,4)19-16/h12-13H,5-11H2,1-4H3/t13-,15-,16-/m1/s1
Inchi KeyNRWGSFOQBIWMQN-FVQBIDKESA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities16.0
Np Likeness Score2.06
Records Key['11c, 2-exo-hexoxy-1,4-cineole']
Records Name['(+/-)-exo-4-Isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl hexanoate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure