Bioactive Compound Details

BioIDbio596
NameIZUMINOSIDE C
ChEMBL IDCHEMBL2334064
Molecular FormulaC20H18N2O8
Molecular Weight414.37
Molecular Weight (Monoisotopic)414.1063
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsIzuminoside C
SmilesC[C@@H]1O[C@@H](OC(=O)c2cccc3nc4c(C(=O)O)cccc4nc23)[C@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C20H18N2O8/c1-8-15(23)16(24)17(25)20(29-8)30-19(28)10-5-3-7-12-14(10)22-11-6-2-4-9(18(26)27)13(11)21-12/h2-8,15-17,20,23-25H,1H3,(H,26,27)/t8-,15-,16+,17+,20-/m0/s1
Inchi KeySGGGJKQJIYHFPK-UYNCEFMMSA-N
Molecular SpeciesACID
Targets13.0
Bioactivities14.0
Np Likeness Score1.12
Records Key['14', '7']
Records Name['Izuminoside C', 'Izuminoside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure