Bioactive Compound Details

BioIDbio1195
NameBRIANODIN C
ChEMBL IDCHEMBL512100
Molecular FormulaC26H36O13
Molecular Weight556.56
Molecular Weight (Monoisotopic)556.2156
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBrianodin C
SmilesCC(=O)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)/C(C)=C\[C@@H]2OC(=O)[C@@](C)(O)[C@@]2(O)[C@@H](OC(C)=O)[C@H]2[C@](C)(O)[C@H](O)C=C[C@]12C
InchiInChI=1S/C26H36O13/c1-11-10-16-26(35,25(7,34)22(32)39-16)21(38-14(4)29)19-23(5,9-8-15(30)24(19,6)33)20(37-13(3)28)17(31)18(11)36-12(2)27/h8-10,15-21,30-31,33-35H,1-7H3/b11-10-/t15-,16+,17-,18+,19-,20-,21+,23+,24-,25-,26+/m1/s1
Inchi KeyBPTLBHIBVVUJOL-HVLXEMLISA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.8
Records Key['3']
Records Name['Brianodin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure