Bioactive Compound Details

BioIDbio759
NameRHIZOCHALIN C
ChEMBL IDCHEMBL400073
Molecular FormulaC34H68N2O9
Molecular Weight648.92
Molecular Weight (Monoisotopic)648.4925
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRhizochalin C
SmilesC[C@@H](N)[C@H](O)CCCCCCCC(=O)CCCCCCCCCCCCCC[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](N)CO
InchiInChI=1S/C34H68N2O9/c1-25(35)28(40)21-17-13-10-12-16-20-26(39)19-15-11-8-6-4-2-3-5-7-9-14-18-22-29(27(36)23-37)44-34-33(43)32(42)31(41)30(24-38)45-34/h25,27-34,37-38,40-43H,2-24,35-36H2,1H3/t25-,27-,28-,29-,30-,31+,32+,33-,34-/m1/s1
Inchi KeyLTQNHMJORFUEBP-PEYGHRBVSA-N
Molecular SpeciesBASE
Targets1.0
Bioactivities1.0
Np Likeness Score1.43
Records Key['1, rhizochalin C']
Records Name['rhizochalin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure