Bioactive Compound Details

BioIDbio1011
NameSwietmanin C
ChEMBL IDCHEMBL1075767
Molecular FormulaC29H36O9
Molecular Weight528.6
Molecular Weight (Monoisotopic)528.2359
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSwietmanin C
SmilesCOC(=O)C[C@H]1C(C)(C)[C@H](O)[C@@H]2C=C3[C@H]([C@H](OC(C)=O)C[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O
InchiInChI=1S/C29H36O9/c1-14(30)37-19-12-28(4)18(10-22(32)38-26(28)15-7-8-36-13-15)16-9-17-24(33)27(2,3)20(11-21(31)35-6)29(5,23(16)19)25(17)34/h7-9,13,17-20,23-24,26,33H,10-12H2,1-6H3/t17-,18-,19+,20-,23+,24+,26-,28+,29-/m0/s1
Inchi KeyFXCLSQHGURWPTH-ROVGKIKZSA-N
Molecular SpeciesNEUTRAL
Targets11.0
Bioactivities15.0
Np Likeness Score2.89
Records Key['19', '3']
Records Name['swietmanin C', 'Swietmanin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure