Bioactive Compound Details

BioIDbio1157
NameDIACARPEROXIDE C
ChEMBL IDCHEMBL498535
Molecular FormulaC20H34O6
Molecular Weight370.49
Molecular Weight (Monoisotopic)370.2355
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDiacarperoxide C
SmilesCOC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC(=O)C(C)(C)CCCC(C)=O)OO1
InchiInChI=1S/C20H34O6/c1-14(21)8-7-11-19(3,4)17(22)10-13-20(5)12-9-16(25-26-20)15(2)18(23)24-6/h15-16H,7-13H2,1-6H3/t15-,16+,20+/m1/s1
Inchi KeyOQQQVWCMVDRPGR-GUXCAODWSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities5.0
Np Likeness Score2.41
Records Key['3']
Records Name['diacarperoxide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure