Bioactive Compound Details

BioIDbio197339
NameNone
ChEMBL IDCHEMBL403137
Molecular FormulaC26H34O8
Molecular Weight474.55
Molecular Weight (Monoisotopic)474.2254
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsSalvinorin B Tetrahydropyran-2-Yl Ether
SmilesCOC(=O)[C@@H]1C[C@H](OC2CCCCO2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InchiInChI=1S/C26H34O8/c1-25-9-7-16-24(29)34-19(15-8-11-31-14-15)13-26(16,2)22(25)21(27)18(12-17(25)23(28)30-3)33-20-6-4-5-10-32-20/h8,11,14,16-20,22H,4-7,9-10,12-13H2,1-3H3/t16-,17-,18-,19-,20?,22-,25-,26-/m0/s1
Inchi KeyQFGJOBZLFYQWNI-UBPYUYODSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities5.0
Np Likeness Score2.42
Records Key['20']
Records Name['salvinorin B tetrahydropyran-2-yl ether']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure