Bioactive Compound Details

BioIDbio775
NameDONNAIENIN C
ChEMBL IDCHEMBL500505
Molecular FormulaC37H66O9
Molecular Weight654.93
Molecular Weight (Monoisotopic)654.4707
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDonnaienin C
SmilesCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCC[C@H](O)CCCCC[C@H](CC2=C[C@@](C)(O)OC2=O)OC(C)=O)O1
InchiInChI=1S/C37H66O9/c1-4-5-6-7-8-9-10-11-12-16-22-32(40)34-24-25-35(45-34)33(41)23-18-17-20-30(39)19-14-13-15-21-31(44-28(2)38)26-29-27-37(3,43)46-36(29)42/h27,30-35,39-41,43H,4-26H2,1-3H3/t30-,31-,32-,33-,34-,35-,37+/m1/s1
Inchi KeyMULMKVZTRRCCJX-VFHXHHDVSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score1.79
Records Key['donnaienin C']
Records Name['donnaienin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure