Bioactive Compound Details

BioIDbio323
NameXYLOGRANATIN C
ChEMBL IDCHEMBL1080141
Molecular FormulaC30H36O10
Molecular Weight556.61
Molecular Weight (Monoisotopic)556.2308
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsXylogranatin C
SmilesCOC(=O)CC[C@@H]1[C@@H](C)C(=O)C([C@@H](OC(C)=O)[C@@]2(O)C(=O)CC[C@]3(C)C2=CC(=O)O[C@H]3c2ccoc2)=CC1(C)C
InchiInChI=1S/C30H36O10/c1-16-20(7-8-23(33)37-6)28(3,4)14-19(25(16)35)27(39-17(2)31)30(36)21-13-24(34)40-26(18-10-12-38-15-18)29(21,5)11-9-22(30)32/h10,12-16,20,26-27,36H,7-9,11H2,1-6H3/t16-,20-,26+,27-,29-,30+/m1/s1
Inchi KeyNASRTTMOGRRNNS-LUYHWAKQSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score2.61
Records Key['7']
Records Name['Xylogranatin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure