Bioactive Compound Details

BioIDbio640
NameINDAQUASSIN C
ChEMBL IDCHEMBL2270645
Molecular FormulaC20H26O9
Molecular Weight410.42
Molecular Weight (Monoisotopic)410.1577
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesCC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)C[C@]3(O)[C@]14CO[C@@]3(C)[C@@H](O)[C@H](O)[C@H]24
InchiInChI=1S/C20H26O9/c1-7-4-8(21)14(25)17(2)10(7)11(23)16-19-6-28-18(3,15(26)12(24)13(17)19)20(19,27)5-9(22)29-16/h4,10-16,23-27H,5-6H2,1-3H3/t10-,11-,12-,13-,14-,15+,16-,17+,18+,19+,20-/m1/s1
Inchi KeyWPPVOFUTBNIYFS-QCAWFNPZSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities10.0
Np Likeness Score3.32
Records Key['1']
Records Name['Indaquassin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure