Bioactive Compound Details

BioIDbio1086
NameFLACOURTOSIDE C
ChEMBL IDCHEMBL2036485
Molecular FormulaC33H34O15
Molecular Weight670.62
Molecular Weight (Monoisotopic)670.1898
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsFlacourtoside C
SmilesO=Cc1cc(O)ccc1O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
InchiInChI=1S/C33H34O15/c34-14-19-13-20(35)11-12-21(19)45-33-28(40)29(25(37)23(47-33)16-44-31(42)18-9-5-2-6-10-18)48-32-27(39)26(38)24(36)22(46-32)15-43-30(41)17-7-3-1-4-8-17/h1-14,22-29,32-33,35-40H,15-16H2/t22-,23-,24-,25-,26+,27-,28-,29+,32+,33-/m1/s1
Inchi KeyLYHJYLWDBXOFGX-XERWWOBWSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.12
Records Key['3']
Records Name['flacourtoside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure