Bioactive Compound Details

BioIDbio661
NameSQUADIOLIN C
ChEMBL IDCHEMBL442941
Molecular FormulaC37H68O7
Molecular Weight624.94
Molecular Weight (Monoisotopic)624.4965
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymssquadiolin C
SmilesCCCCCCCCCCCC[C@H](O)[C@@H](O)CCCC[C@@H](O)[C@H]1CC[C@H](CCCCCCCC(O)CC2=C[C@H](C)OC2=O)O1
InchiInChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-14-17-22-33(39)34(40)23-18-19-24-35(41)36-26-25-32(44-36)21-16-13-11-12-15-20-31(38)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31?,32-,33-,34-,35+,36+/m0/s1
Inchi KeyNMFDDBWJYTYLTB-FSIHDYJCSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score2.04
Records Key['7']
Records Name['squadiolin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure