Bioactive Compound Details

BioIDbio765
NameCALAMISTRIN C
ChEMBL IDCHEMBL449866
Molecular FormulaC37H68O6
Molecular Weight608.95
Molecular Weight (Monoisotopic)608.5016
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCalamistrin C
SmilesCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCC(O)CCCCCCCCCCC2=C[C@H](C)OC2=O)O1
InchiInChI=1S/C37H68O6/c1-3-4-5-6-7-12-15-20-25-33(39)35-27-28-36(43-35)34(40)26-21-16-19-24-32(38)23-18-14-11-9-8-10-13-17-22-31-29-30(2)42-37(31)41/h29-30,32-36,38-40H,3-28H2,1-2H3/t30-,32?,33+,34+,35+,36+/m0/s1
Inchi KeyJOHOCUBTTQAHLI-URCADZRVSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score1.67
Records Key['1']
Records Name['calamistrin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure