Bioactive Compound Details

BioIDbio721
NameACANTHOPANAXOSIDE C
ChEMBL IDCHEMBL475941
Molecular FormulaC40H62O13
Molecular Weight750.92
Molecular Weight (Monoisotopic)750.419
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAcanthopanaxoside C
SmilesC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7C[C@](C)(C(=O)O)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@@H]5CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C40H62O13/c1-19-27(42)29(44)30(45)32(51-19)53-31-28(43)24(41)18-50-33(31)52-26-11-12-39(6)21-7-8-22-23-17-37(4,34(46)47)13-15-40(23,35(48)49)16-14-38(22,5)20(21)9-10-25(39)36(26,2)3/h8,19-21,23-33,41-45H,7,9-18H2,1-6H3,(H,46,47)(H,48,49)/t19-,20+,21-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33-,37+,38-,39+,40-/m0/s1
Inchi KeyGIQGWHSRWQUCSD-WHITXGOPSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score2.92
Records Key['13']
Records Name['Acanthopanaxoside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure