Bioactive Compound Details

BioIDbio1835
NameASTEBATHERIOSIDE C
ChEMBL IDCHEMBL2333840
Molecular FormulaC18H27NO10
Molecular Weight417.41
Molecular Weight (Monoisotopic)417.1635
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAstebatherioside C
SmilesCC(=O)c1[nH]ccc1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C18H27NO10/c1-6(20)10-9(4-5-19-10)28-18-16(14(24)12(22)8(3)27-18)29-17-15(25)13(23)11(21)7(2)26-17/h4-5,7-8,11-19,21-25H,1-3H3/t7-,8-,11-,12-,13+,14+,15-,16-,17+,18+/m1/s1
Inchi KeyOTCHVZAGSBMQAL-WEIRBOCVSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.58
Records Key['3, Astebatherioside C']
Records Name['3-[O-beta-D-quinovopyranosyl-(1->2)-beta-D-quinovopyranosyl]-2-acetyl-pyrrole']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure