Bioactive Compound Details

BioIDbio1734
NameSODIUM SARCOHYDROQUINONE SULFATE C
ChEMBL IDCHEMBL499577
Molecular FormulaC46H69NaO4S
Molecular Weight741.11
Molecular Weight (Monoisotopic)718.4995
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSodium Sarcohydroquinone Sulfate C
SmilesCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cccc(OS(=O)(=O)[O-])c1.[Na+]
InchiInChI=1S/C46H70O4S.Na/c1-37(2)18-10-19-38(3)20-11-21-39(4)22-12-23-40(5)24-13-25-41(6)26-14-27-42(7)28-15-29-43(8)30-16-31-44(9)34-35-45-32-17-33-46(36-45)50-51(47,48)49;/h17-18,20,22,24,26,28,30,32-34,36H,10-16,19,21,23,25,27,29,31,35H2,1-9H3,(H,47,48,49);/q;+1/p-1/b38-20+,39-22+,40-24+,41-26+,42-28+,43-30+,44-34+;
Inchi KeyZDRJCXWQWKUWMP-RUQDIQSXSA-M
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score0.67
Records Key['6']
Records Name['sodium sarcohydroquinone sulfate C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure