Bioactive Compound Details

BioIDbio166
NameTRIPTEXANTHOSIDE C
ChEMBL IDCHEMBL466536
Molecular FormulaC21H22O12
Molecular Weight466.4
Molecular Weight (Monoisotopic)466.1111
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTriptexanthoside C
SmilesCOc1cc(O)c2c(=O)c3c(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3oc2c1OC
InchiInChI=1S/C21H22O12/c1-29-10-5-7(23)12-16(26)13-8(31-20(12)19(10)30-2)3-4-9(14(13)24)32-21-18(28)17(27)15(25)11(6-22)33-21/h3-5,11,15,17-18,21-25,27-28H,6H2,1-2H3/t11-,15-,17+,18-,21-/m1/s1
Inchi KeyMQLIUXPJHVQKKI-UVPJDIOGSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score2.11
Records Key['3']
Records Name['triptexanthoside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure