Bioactive Compound Details

BioIDbio561
NameSARCAGLABOSIDE C
ChEMBL IDCHEMBL520747
Molecular FormulaC21H30O8
Molecular Weight410.46
Molecular Weight (Monoisotopic)410.1941
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymssarcaglaboside C
SmilesC=C[C@]1(C)C[C@@H]2OC(=O)C(C)=C2C[C@H]1C(=C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C21H30O8/c1-5-21(4)7-14-12(11(3)19(26)28-14)6-13(21)10(2)9-27-20-18(25)17(24)16(23)15(8-22)29-20/h5,13-18,20,22-25H,1-2,6-9H2,3-4H3/t13-,14-,15+,16+,17-,18+,20+,21+/m0/s1
Inchi KeyJQVQMIABESRMFA-YYDGTUDOSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.71
Records Key['3, sarcaglaboside C']
Records Name['5alpha,8betaH-eleman-1,3,7(11)-trien-8alpha,12-olide-15-O-beta-D-glucopyranoside']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure