Bioactive Compound Details

BioIDbio1694
NameBRIARLIDE C
ChEMBL IDCHEMBL462704
Molecular FormulaC26H34O12
Molecular Weight538.55
Molecular Weight (Monoisotopic)538.205
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBriarlide C
SmilesCC(=O)O[C@@H]1[C@H]2[C@](C)(O)[C@H](OC(C)=O)C=C[C@]2(C)[C@@H](O)[C@H](O)[C@@H](OC(C)=O)/C(C)=C\[C@@H]2OC(=O)[C@]3(C)O[C@@]213
InchiInChI=1S/C26H34O12/c1-11-10-16-26(25(7,38-26)22(32)37-16)21(36-14(4)29)19-23(5,20(31)17(30)18(11)35-13(3)28)9-8-15(24(19,6)33)34-12(2)27/h8-10,15-21,30-31,33H,1-7H3/b11-10-/t15-,16+,17-,18+,19-,20+,21-,23+,24-,25+,26+/m1/s1
Inchi KeySHLNEQNTFRQLDN-MCTAPNGHSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score3.24
Records Key['3']
Records Name['briarlide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure