Bioactive Compound Details

BioIDbio366
NameWIEDEMANNINOSIDE C
ChEMBL IDCHEMBL590470
Molecular FormulaC37H50O20
Molecular Weight814.79
Molecular Weight (Monoisotopic)814.2895
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsWiedemanninoside C
SmilesCOc1cc(/C=C/C(=O)O[C@H]2[C@H](OC[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InchiInChI=1S/C37H50O20/c1-16-27(43)30(46)29(45)24(54-16)14-52-35-33(49)37(51-10-9-18-3-6-19(39)21(41)11-18)56-25(15-53-36-32(48)31(47)28(44)23(13-38)55-36)34(35)57-26(42)8-5-17-4-7-20(40)22(12-17)50-2/h3-8,11-12,16,23-25,27-41,43-49H,9-10,13-15H2,1-2H3/b8-5+/t16-,23+,24-,25+,27-,28+,29-,30+,31-,32+,33+,34+,35+,36+,37+/m0/s1
Inchi KeyVXIDKCBQSBYAOT-UZIHOKFYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities4.0
Np Likeness Score1.52
Records Key['14']
Records Name['Wiedemanninoside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure