Bioactive Compound Details

BioIDbio861
NameDRACOTANOSIDE C
ChEMBL IDCHEMBL557513
Molecular FormulaC31H41N3O7
Molecular Weight567.68
Molecular Weight (Monoisotopic)567.2945
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDracotanoside C
SmilesC[C@H]1O[C@@H](Oc2ccc([C@H]3CCCN(C(=O)/C=C\c4ccccc4)CCCNC(=O)CCN3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O
InchiInChI=1S/C31H41N3O7/c1-21-28(37)29(38)30(39)31(40-21)41-24-13-11-23(12-14-24)25-9-5-19-34(20-6-17-33-26(35)16-18-32-25)27(36)15-10-22-7-3-2-4-8-22/h2-4,7-8,10-15,21,25,28-32,37-39H,5-6,9,16-20H2,1H3,(H,33,35)/b15-10-/t21-,25-,28-,29+,30+,31+/m1/s1
Inchi KeyHMNHBXZMWVCOIJ-WHDGBOEQSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score0.83
Records Key['3']
Records Name['dracotanoside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure