Bioactive Compound Details

BioIDbio1713
NameMONNIERISIDE C
ChEMBL IDCHEMBL2087923
Molecular FormulaC21H26O10
Molecular Weight438.43
Molecular Weight (Monoisotopic)438.1526
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMonnieriside C
SmilesC=C(C)C(Cc1c(O)cc2oc(C)cc(=O)c2c1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C21H26O10/c1-8(2)13(30-21-20(28)19(27)18(26)15(7-22)31-21)5-10-11(23)6-14-16(17(10)25)12(24)4-9(3)29-14/h4,6,13,15,18-23,25-28H,1,5,7H2,2-3H3/t13?,15-,18-,19+,20-,21-/m1/s1
Inchi KeyYCIBINBUYZMOOB-LRPQOPPLSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.31
Records Key['11']
Records Name['monnieriside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure