Bioactive Compound Details

BioIDbio346
NameVATALBINOSIDE C
ChEMBL IDCHEMBL1224871
Molecular FormulaC40H42O16
Molecular Weight778.76
Molecular Weight (Monoisotopic)778.2473
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsVatalbinoside C
SmilesOC[C@H]1O[C@@H](Oc2cc(O)cc([C@@H]3c4c(/C=C/c5ccc(O)cc5)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4O[C@H]3c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InchiInChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-13-21(11-24(45)14-25)31-30-20(4-1-18-2-7-22(43)8-3-18)12-26(53-40-37(51)35(49)33(47)29(17-42)56-40)15-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1+/t28-,29-,31-,32-,33-,34+,35+,36-,37-,38+,39-,40-/m1/s1
Inchi KeyLZDBTSVRCPFSKK-DDRJOOFFSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.34
Records Key['3']
Records Name['vatalbinoside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure