Bioactive Compound Details

BioIDbio1286
NameSIDEROXYLONAL C
ChEMBL IDCHEMBL453538
Molecular FormulaC26H28O10
Molecular Weight500.5
Molecular Weight (Monoisotopic)500.1682
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSideroxylonal C
SmilesCC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@H](c2c(O)c(C=O)c(O)c(C=O)c2O)[C@@H]1C(C)C
InchiInChI=1S/C26H28O10/c1-10(2)5-12-17(11(3)4)26(19-23(34)13(6-27)20(31)14(7-28)24(19)35)36-25-16(9-30)21(32)15(8-29)22(33)18(12)25/h6-12,17,26,31-35H,5H2,1-4H3/t12-,17-,26-/m1/s1
Inchi KeyPHQDMQGEKNBIPF-RAFFTOIBSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score1.45
Records Key['3']
Records Name['sideroxylonal C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure