Bioactive Compound Details

BioIDbio178
NameLIBERTELLENONE C
ChEMBL IDCHEMBL1812034
Molecular FormulaC20H28O5
Molecular Weight348.44
Molecular Weight (Monoisotopic)348.1937
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLibertellenone C
SmilesC=C[C@]1(C)C=C2C(=O)C(O)=C3[C@@](C)(CO)CC[C@@H](O)[C@]3(C)[C@@]2(O)CC1
InchiInChI=1S/C20H28O5/c1-5-17(2)8-9-20(25)12(10-17)14(23)15(24)16-18(3,11-21)7-6-13(22)19(16,20)4/h5,10,13,21-22,24-25H,1,6-9,11H2,2-4H3/t13-,17+,18-,19+,20-/m1/s1
Inchi KeyYFSWTQQLSUEQBY-FZIGORSYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score3.31
Records Key['6']
Records Name['Libertellenone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure