Bioactive Compound Details

BioIDbio1174
NamePAEONIN C
ChEMBL IDCHEMBL560121
Molecular FormulaC17H24O9
Molecular Weight372.37
Molecular Weight (Monoisotopic)372.142
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPaeonin C
SmilesC=C1C(OC)O[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]1C(=O)C=C2C
InchiInChI=1S/C17H24O9/c1-7-4-10(19)9-5-17(7,25-15(23-3)8(9)2)26-16-14(22)13(21)12(20)11(6-18)24-16/h4,9,11-16,18,20-22H,2,5-6H2,1,3H3/t9-,11-,12-,13+,14-,15?,16+,17+/m1/s1
Inchi KeyOMNBOKMNIVQDNN-MCCSOQQISA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.76
Records Key['3']
Records Name['Paeonin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure