Bioactive Compound Details

BioIDbio197947
Namestrongylophorine-2
ChEMBL IDCHEMBL476499
Molecular FormulaC26H34O4
Molecular Weight410.55
Molecular Weight (Monoisotopic)410.2457
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonymsstrongylophorine-2
SmilesC[C@@]12CC[C@@H]3[C@]4(CCC[C@@]3(C)C(=O)OC4)[C@H]1CC[C@]1(C)Oc3ccc(O)cc3C[C@@H]21
InchiInChI=1S/C26H34O4/c1-23-11-7-20-24(2)9-4-10-26(20,15-29-22(24)28)19(23)8-12-25(3)21(23)14-16-13-17(27)5-6-18(16)30-25/h5-6,13,19-21,27H,4,7-12,14-15H2,1-3H3/t19-,20-,21-,23+,24+,25-,26-/m0/s1
Inchi KeyHFVKLEZASUROTL-PFCQETGDSA-N
Molecular SpeciesNEUTRAL
Targets9.0
Bioactivities10.0
Np Likeness Score2.79
Records Key['2', '3', '3']
Records Name['strongylophorine-2', 'strongylophorine-2', 'strongylophorine-2']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure