Bioactive Compound Details

BioIDbio940
NameMADLONGISIDE C
ChEMBL IDCHEMBL491706
Molecular FormulaC35H56O10
Molecular Weight636.82
Molecular Weight (Monoisotopic)636.3873
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMadlongiside C
SmilesCC1(C)CC[C@]2(C(=O)O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1
InchiInChI=1S/C35H56O10/c1-30(2)9-11-35(29(43)45-28-25(41)24(40)22(39)16-44-28)12-10-33(5)18(19(35)13-30)7-8-23-31(3)14-21(38)27(42)32(4,17-36)26(31)20(37)15-34(23,33)6/h7,19-28,36-42H,8-17H2,1-6H3/t19-,20+,21-,22-,23+,24-,25+,26+,27-,28-,31+,32-,33+,34+,35-/m0/s1
Inchi KeyLHEBDLOFQQYJHH-FTTCVYLCSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.04
Records Key['3']
Records Name['Madlongiside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure