Bioactive Compound Details

BioIDbio1537
NameDENDROMONILISIDE C
ChEMBL IDCHEMBL508228
Molecular FormulaC21H32O10
Molecular Weight444.48
Molecular Weight (Monoisotopic)444.1995
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsdendromoniliside C
SmilesCC(C)[C@H]1[C@@H]2OC(=O)[C@H]1[C@H]1C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]3(CO3)[C@@]1(C)[C@H]2O
InchiInChI=1S/C21H32O10/c1-7(2)11-12-8-4-10(30-19-15(25)14(24)13(23)9(5-22)29-19)21(6-28-21)20(8,3)17(26)16(11)31-18(12)27/h7-17,19,22-26H,4-6H2,1-3H3/t8-,9-,10+,11-,12+,13-,14+,15-,16+,17+,19+,20-,21-/m1/s1
Inchi KeyVDOXHFZQCMWZFW-MZUJOSMLSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities3.0
Np Likeness Score2.97
Records Key['3, dendromoniliside C']
Records Name['2alpha,3alpha,8beta-trihydroxy-9alpha-(11)-epoxypicrotoxan-3(15alpha)-olide 8-O-beta-D-glucopyranoside']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure