Bioactive Compound Details

BioIDbio1526
NameNEGOMBATOPEROXIDE C/D
ChEMBL IDCHEMBL1223629
Molecular FormulaC16H24O6
Molecular Weight312.36
Molecular Weight (Monoisotopic)312.1573
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNegombatoperoxide C/D
SmilesC[C@@H](C(=O)O)[C@H]1CC[C@@](C)(C/C=C/C2(C)CCC(=O)O2)OO1
InchiInChI=1S/C16H24O6/c1-11(14(18)19)12-5-9-16(3,22-21-12)8-4-7-15(2)10-6-13(17)20-15/h4,7,11-12H,5-6,8-10H2,1-3H3,(H,18,19)/b7-4+/t11-,12-,15?,16-/m1/s1
Inchi KeyHAZACBAWFGKIBT-AGIJGJRVSA-N
Molecular SpeciesACID
Targets5.0
Bioactivities5.0
Np Likeness Score3.35
Records Key['6/7']
Records Name['negombatoperoxide C/D']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure