Bioactive Compound Details

BioIDbio1708
NamePHYSORDINOSE C
ChEMBL IDCHEMBL1171817
Molecular FormulaC30H54O13
Molecular Weight622.75
Molecular Weight (Monoisotopic)622.3564
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPhysordinose C
SmilesCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OCC(C)C
InchiInChI=1S/C30H54O13/c1-5-6-7-8-9-10-11-12-13-14-23(34)41-27-26(38-17-19(2)3)24(35)21(15-31)40-29(27)43-30(18-39-20(4)33)28(37)25(36)22(16-32)42-30/h19,21-22,24-29,31-32,35-37H,5-18H2,1-4H3/t21-,22-,24-,25-,26+,27-,28+,29-,30+/m1/s1
Inchi KeyWCUYNFHBYFOUKI-UTGHZIEOSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.43
Records Key['14']
Records Name['Physordinose C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure