Bioactive Compound Details

BioIDbio1632
NameSAPINTOXIN C
ChEMBL IDCHEMBL505667
Molecular FormulaC30H37NO7
Molecular Weight523.63
Molecular Weight (Monoisotopic)523.257
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSapintoxin C
SmilesCNc1ccccc1C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3[C@H](O)C(C)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
InchiInChI=1S/C30H37NO7/c1-14-12-19-22(23(14)33)24(34)15(2)13-20-25-28(5,6)30(25,38-17(4)32)26(16(3)29(19,20)36)37-27(35)18-10-8-9-11-21(18)31-7/h8-13,16,19-20,22,24-26,31,34,36H,1-7H3/t16-,19-,20+,22+,24-,25-,26-,29+,30-/m1/s1
Inchi KeyKESIQXYRXFIECZ-UNEHIJSCSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.32
Records Key['5']
Records Name['sapintoxin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure