Bioactive Compound Details

BioIDbio1117
NameNone
ChEMBL IDCHEMBL2023364
Molecular FormulaC26H38O6
Molecular Weight446.58
Molecular Weight (Monoisotopic)446.2668
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRel-Chipericumin C
SmilesCC(C)=CC[C@]1(C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C(=O)C(C(=O)C(C)C)=C1O
InchiInChI=1S/C26H38O6/c1-14(2)8-10-23(5)20(28)18(19(27)15(3)4)21(29)26(22(23)30)12-17-16(25(7,32)13-26)9-11-24(17,6)31/h8,15-17,28,31-32H,9-13H2,1-7H3/t16-,17+,23+,24-,25-,26-/m1/s1
Inchi KeyPIDFRBSCCDEYLQ-MWAIESILSA-N
Molecular SpeciesACID
Targets10.0
Bioactivities10.0
Np Likeness Score2.67
Records Key['3']
Records Name['rel-chipericumin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure