Bioactive Compound Details

BioIDbio32
NamePSEURATA C
ChEMBL IDCHEMBL483119
Molecular FormulaC22H30O6
Molecular Weight390.48
Molecular Weight (Monoisotopic)390.2042
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPseurata C
SmilesC=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]2CC(=O)[C@@H]1[C@H]3O
InchiInChI=1S/C22H30O6/c1-10-17-12(24)8-14-21(5)7-6-16(28-11(2)23)20(3,4)13(21)9-15(25)22(14,18(10)26)19(17)27/h13-17,19,25,27H,1,6-9H2,2-5H3/t13-,14+,15-,16+,17-,19-,21-,22+/m1/s1
Inchi KeyVXFWYBMANDCLHW-KKLUHXGFSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities6.0
Np Likeness Score3.23
Records Key['6', '16']
Records Name['Pseurata C', 'Pseurata C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure