Bioactive Compound Details

BioIDbio772
NameNone
ChEMBL IDCHEMBL226847
Molecular FormulaC22H26O4
Molecular Weight354.45
Molecular Weight (Monoisotopic)354.1831
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms3',3',5'-Triethyl Desmosdumotin C
SmilesCCC1=C(OC)C(CC)(CC)C(=O)C(C(=O)/C=C/c2ccccc2)=C1O
InchiInChI=1S/C22H26O4/c1-5-16-19(24)18(17(23)14-13-15-11-9-8-10-12-15)20(25)22(6-2,7-3)21(16)26-4/h8-14,24H,5-7H2,1-4H3/b14-13+
Inchi KeyLIBVLVGYQKULOW-BUHFOSPRSA-N
Molecular SpeciesACID
Targets7.0
Bioactivities9.0
Np Likeness Score0.94
Records Key['22']
Records Name[3',3',5'-triethyl desmosdumotin c"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure