Bioactive Compound Details

BioIDbio1729
NameNone
ChEMBL IDCHEMBL258478
Molecular FormulaC36H48O3
Molecular Weight528.78
Molecular Weight (Monoisotopic)528.3603
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms(12'S)-Bisbakuchiol C
SmilesC=C[C@@](C)(/C=C/c1ccc(OC(C)(C)[C@@H](O)CC[C@@](C)(C=C)/C=C/c2ccc(O)cc2)cc1)CCC=C(C)C
InchiInChI=1S/C36H48O3/c1-9-35(7,24-11-12-28(3)4)25-21-30-15-19-32(20-16-30)39-34(5,6)33(38)23-27-36(8,10-2)26-22-29-13-17-31(37)18-14-29/h9-10,12-22,25-26,33,37-38H,1-2,11,23-24,27H2,3-8H3/b25-21+,26-22+/t33-,35+,36-/m0/s1
Inchi KeyHBUHJZOOZIOPLC-GOBFGHSLSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score1.17
Records Key['3']
Records Name[(12'S)-bisbakuchiol C"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure