Bioactive Compound Details

BioIDbio777
NameTONKININ C
ChEMBL IDCHEMBL499663
Molecular FormulaC39H70O7
Molecular Weight650.98
Molecular Weight (Monoisotopic)650.5122
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTonkinin C
SmilesCCCCCCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@@H](CC(O)CCCCCCCCCCC2=C[C@H](C)OC2=O)OC(C)=O)O1
InchiInChI=1S/C39H70O7/c1-4-5-6-7-8-9-10-11-12-17-20-23-26-35(42)36-27-28-37(46-36)38(45-32(3)40)30-34(41)25-22-19-16-14-13-15-18-21-24-33-29-31(2)44-39(33)43/h29,31,34-38,41-42H,4-28,30H2,1-3H3/t31-,34?,35-,36+,37+,38+/m0/s1
Inchi KeyYSRREURPYXAHFF-ZDBSNPIZSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score1.85
Records Key['60']
Records Name['tonkinin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure