Bioactive Compound Details

BioIDbio281
NameCINERACIPADESIN C
ChEMBL IDCHEMBL560366
Molecular FormulaC29H36O10
Molecular Weight544.6
Molecular Weight (Monoisotopic)544.2308
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCineracipadesin C
SmilesC=C1[C@]2(O)C(=O)C[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@H](CC(=O)OC)[C@]12C
InchiInChI=1S/C29H36O10/c1-15-28-13-23(33)38-24(17-8-9-36-14-17)26(28,5)12-19(31)29(15,34)27(6)18(10-22(32)35-7)25(3,4)20(37-16(2)30)11-21(27)39-28/h8-9,14,18,20-21,24,34H,1,10-13H2,2-7H3/t18-,20+,21-,24-,26-,27+,28-,29-/m0/s1
Inchi KeyASBTXKZKJYWTLW-DYOGWWOHSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.95
Records Key['3']
Records Name['cineracipadesin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure