Bioactive Compound Details

BioIDbio1428
NameKURILENSOSIDE C
ChEMBL IDCHEMBL503533
Molecular FormulaC44H76O19
Molecular Weight909.07
Molecular Weight (Monoisotopic)908.4981
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsKurilensoside C
SmilesCO[C@H]1[C@H](OC[C@@H]2O[C@@H](O[C@@H](CC[C@@H](C)[C@H]3C[C@@H](O)[C@@H]4[C@]3(C)CC[C@H]3[C@@]4(O)[C@H](O)[C@H](O)C4[C@@H](O)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5OC)CC[C@@]43C)C(C)C)[C@H](O)[C@H]2O)OC[C@@H](O)[C@@H]1O
InchiInChI=1S/C44H76O19/c1-18(2)24(61-39-34(53)32(51)26(63-39)17-60-40-35(56-6)29(48)22(46)15-58-40)9-8-19(3)20-14-21(45)37-42(20,4)13-11-27-43(5)12-10-25(31(50)28(43)33(52)38(54)44(27,37)55)62-41-36(57-7)30(49)23(47)16-59-41/h18-41,45-55H,8-17H2,1-7H3/t19-,20-,21-,22-,23-,24+,25+,26+,27-,28?,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-,39-,40+,41+,42-,43-,44+/m1/s1
Inchi KeyVLRBSKQGHGCGRD-RTWKHRBESA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.26
Records Key['3']
Records Name['Kurilensoside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure