Bioactive Compound Details

BioIDbio538
NameSTELLETTIN C
ChEMBL IDCHEMBL487082
Molecular FormulaC32H42O5
Molecular Weight506.68
Molecular Weight (Monoisotopic)506.3032
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsstellettin C
SmilesCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C(C)\C=C\C=C(/C)c4ccc(C)c(=O)o4)C(=O)C[C@@H]23)C1(C)C
InchiInChI=1S/C32H42O5/c1-19(24-13-12-21(3)29(35)37-24)10-9-11-20(2)28-23(34)18-26-31(7)17-15-27(36-22(4)33)30(5,6)25(31)14-16-32(26,28)8/h9-13,25-27H,14-18H2,1-8H3/b11-9+,19-10+,28-20-/t25-,26-,27-,31-,32-/m0/s1
Inchi KeyFXUTZQWZMMBKRZ-GGFYILIVSA-N
Molecular SpeciesNEUTRAL
Targets9.0
Bioactivities17.0
Np Likeness Score2.62
Records Key['9', '5', '18']
Records Name['stellettin C', 'stellettin C', 'Stellettin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure