Bioactive Compound Details

BioIDbio1126
NameCAROLIN C
ChEMBL IDCHEMBL448742
Molecular FormulaC35H62O7
Molecular Weight594.87
Molecular Weight (Monoisotopic)594.4496
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCarolin C
SmilesCCCCCCC(O)CCC[C@H](O)[C@@H]1CC[C@@H]([C@@H]2CC[C@H]([C@H](O)CCCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1
InchiInChI=1S/C35H62O7/c1-3-4-5-13-17-28(36)18-15-20-30(38)32-22-24-34(42-32)33-23-21-31(41-33)29(37)19-14-11-9-7-6-8-10-12-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3/t26-,28?,29+,30-,31+,32-,33-,34-/m0/s1
Inchi KeyXJTBKNFACRAPEK-OGUHHNHRSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities5.0
Np Likeness Score1.9
Records Key['78', '3']
Records Name['carolin C', 'carolin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure