Bioactive Compound Details

BioIDbio725
NamePESTALOFONE C
ChEMBL IDCHEMBL522168
Molecular FormulaC32H40O6
Molecular Weight520.67
Molecular Weight (Monoisotopic)520.2825
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPestalofone C
SmilesC=C(C)/C=C1C(=C2\C[C@H](O)[C@@H]3O[C@]3(CC=C(C)C)C2=O)/C=C(C)C[C@@]/12C[C@H](O)[C@@H]1O[C@]1(CC=C(C)C)C2=O
InchiInChI=1S/C32H40O6/c1-17(2)8-10-31-26(35)22(14-24(33)27(31)37-31)21-13-20(7)15-30(23(21)12-19(5)6)16-25(34)28-32(38-28,29(30)36)11-9-18(3)4/h8-9,12-13,24-25,27-28,33-34H,5,10-11,14-16H2,1-4,6-7H3/b22-21+,23-12-/t24-,25-,27-,28-,30+,31+,32-/m0/s1
Inchi KeyLJTKUBXRWULZKS-PDIAYQMFSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score1.87
Records Key['3']
Records Name['Pestalofone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure