Bioactive Compound Details

BioIDbio211
NameCERTONARDOSTEROL C
ChEMBL IDCHEMBL476696
Molecular FormulaC28H48O5
Molecular Weight464.69
Molecular Weight (Monoisotopic)464.3502
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCertonardosterol C
SmilesC=C(CC[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)C[C@]12O)[C@H](C)CO
InchiInChI=1S/C28H48O5/c1-16(18(3)15-29)6-7-17(2)20-13-22(31)25-27(20,5)11-9-24-26(4)10-8-19(30)12-21(26)23(32)14-28(24,25)33/h17-25,29-33H,1,6-15H2,2-5H3/t17-,18-,19+,20-,21-,22-,23+,24-,25-,26+,27-,28+/m1/s1
Inchi KeyAHDGWLLYXUUQCO-BOCJNLEFSA-N
Molecular SpeciesNEUTRAL
Targets14.0
Bioactivities25.0
Np Likeness Score3.31
Records Key['3']
Records Name['Certonardosterol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure