Bioactive Compound Details

BioIDbio451
NameKADSURENIN C
ChEMBL IDCHEMBL571615
Molecular FormulaC21H26O5
Molecular Weight358.43
Molecular Weight (Monoisotopic)358.178
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsKadsurenin C
SmilesC=CCC1=C[C@@]2(OC)[C@H](C)[C@@H](c3ccc(OC)c(OC)c3)[C@H](C1=O)[C@@H]2O
InchiInChI=1S/C21H26O5/c1-6-7-14-11-21(26-5)12(2)17(18(19(14)22)20(21)23)13-8-9-15(24-3)16(10-13)25-4/h6,8-12,17-18,20,23H,1,7H2,2-5H3/t12-,17+,18-,20+,21-/m1/s1
Inchi KeyYYEUHNBQISBESB-LOPMHCFQSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities7.0
Np Likeness Score2.0
Records Key['11']
Records Name['Kadsurenin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure