Bioactive Compound Details

BioIDbio200372
NameNone
ChEMBL IDCHEMBL272483
Molecular FormulaC25H34O9
Molecular Weight478.54
Molecular Weight (Monoisotopic)478.2203
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsSalvinorin B 2-Methoxyethoxymethyl Ether
SmilesCOCCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O
InchiInChI=1S/C25H34O9/c1-24-7-5-16-23(28)34-19(15-6-8-31-13-15)12-25(16,2)21(24)20(26)18(11-17(24)22(27)30-4)33-14-32-10-9-29-3/h6,8,13,16-19,21H,5,7,9-12,14H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
Inchi KeyPIISJSXOJJEJHX-BYDLNXCSSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities5.0
Np Likeness Score2.34
Records Key['13']
Records Name['salvinorin B 2-methoxyethoxymethyl ether']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure