Bioactive Compound Details

BioIDbio134
NameSPONGIDINE C
ChEMBL IDCHEMBL541168
Molecular FormulaC26H38ClNO4
Molecular Weight464.05
Molecular Weight (Monoisotopic)428.2795
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsspongidine C
SmilesCC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)c3cc(CCC(=O)O)[n+](CC(=O)O)cc3CCC21.[Cl-]
InchiInChI=1S/C26H37NO4.ClH/c1-24(2)11-5-12-26(4)20(24)10-13-25(3)19-14-18(7-9-22(28)29)27(16-23(30)31)15-17(19)6-8-21(25)26;/h14-15,20-21H,5-13,16H2,1-4H3,(H-,28,29,30,31);1H/t20?,21?,25-,26-;/m0./s1
Inchi KeyGTWNLPWPDZPVIM-ZANDYSAHSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities7.0
Np Likeness Score2.15
Records Key['7']
Records Name['spongidine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure