Bioactive Compound Details

BioIDbio1705
NameEUPALININ C
ChEMBL IDCHEMBL490650
Molecular FormulaC22H28O8
Molecular Weight420.46
Molecular Weight (Monoisotopic)420.1784
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsEupalinin C
SmilesC=C1C(=O)O[C@H]2/C=C(/C)[C@H](OC(C)=O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12
InchiInChI=1S/C22H28O8/c1-6-14(10-23)21(26)29-17-9-22(5)18(30-22)8-15(27-13(4)24)11(2)7-16-19(17)12(3)20(25)28-16/h6-7,15-19,23H,3,8-10H2,1-2,4-5H3/b11-7-,14-6+/t15-,16+,17-,18+,19+,22-/m1/s1
Inchi KeyRDZDKJXIRQNZFT-BMLIUORXSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities6.0
Np Likeness Score3.6
Records Key['SQTL-2']
Records Name['eupalinin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure