Bioactive Compound Details

BioIDbio260
NameISARIOTIN C
ChEMBL IDCHEMBL253125
Molecular FormulaC21H31NO7
Molecular Weight409.48
Molecular Weight (Monoisotopic)409.2101
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsIsariotin C
SmilesCCCCCC(=O)CCC/C=C/C(=O)N[C@H]1C[C@@]2(O)C(=O)[C@H]([C@H](O)[C@@H]3O[C@@H]32)[C@H]1O
InchiInChI=1S/C21H31NO7/c1-2-3-5-8-12(23)9-6-4-7-10-14(24)22-13-11-21(28)19(27)15(16(13)25)17(26)18-20(21)29-18/h7,10,13,15-18,20,25-26,28H,2-6,8-9,11H2,1H3,(H,22,24)/b10-7+/t13-,15-,16-,17-,18-,20-,21+/m0/s1
Inchi KeyBDPGWFYYYPWIAE-YPPQQAOGSA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities8.0
Np Likeness Score2.17
Records Key['3']
Records Name['isariotin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure