Bioactive Compound Details

BioIDbio404
NameROLLIDECIN C
ChEMBL IDCHEMBL505782
Molecular FormulaC35H62O6
Molecular Weight578.88
Molecular Weight (Monoisotopic)578.4546
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRollidecin C
SmilesCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1
InchiInChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-13-11-12-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34,36-37H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33-,34-/m0/s1
Inchi KeyKVJOKNWVKJJSNO-JBSVHPCSSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities6.0
Np Likeness Score2.23
Records Key['87']
Records Name['rollidecin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure