Bioactive Compound Details

BioIDbio477
NameC-Methylhyperforin
ChEMBL IDCHEMBL458136
Molecular FormulaC36H54O4
Molecular Weight550.82
Molecular Weight (Monoisotopic)550.4022
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsC-Methylhyperforin
SmilesCC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@](C)(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C2=O
InchiInChI=1S/C36H54O4/c1-23(2)14-13-19-34(12)28(16-15-24(3)4)22-35(21-18-26(7)8)30(38)33(11,20-17-25(5)6)31(39)36(34,32(35)40)29(37)27(9)10/h14-15,17-18,27-28H,13,16,19-22H2,1-12H3/t28-,33-,34+,35+,36+/m0/s1
Inchi KeyHMBOUVNSIVRGPO-OSNKRYAHSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.24
Records Key['4']
Records Name['C-Methylhyperforin']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure