Bioactive Compound Details

BioIDbio199669
Name2-exo-benzoxy-1,4-cineole
ChEMBL IDCHEMBL2229482
Molecular FormulaC17H22O3
Molecular Weight274.36
Molecular Weight (Monoisotopic)274.1569
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCC(C)[C@]12CC[C@@](C)(O1)[C@H](OC(=O)c1ccccc1)C2
InchiInChI=1S/C17H22O3/c1-12(2)17-10-9-16(3,20-17)14(11-17)19-15(18)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t14-,16-,17-/m1/s1
Inchi KeyGRCFKZZVEJBTSU-DJIMGWMZSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities19.0
Np Likeness Score1.71
Records Key['11e, 2-exo-benzoxy-1,4-cineole']
Records Name['(+/-)-exo-4-Isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl benzoate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure