Bioactive Compound Details

BioIDbio1777
NameTERPECURCUMIN C
ChEMBL IDCHEMBL2207413
Molecular FormulaC36H44O7
Molecular Weight588.74
Molecular Weight (Monoisotopic)588.3087
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTerpecurcumin C
SmilesCOc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)C=C[C@@]3(C)O)c(OC)c2)ccc1O
InchiInChI=1S/C36H44O7/c1-24(2)8-7-9-25(3)28-18-19-36(4,40)35(22-28)43-32-17-13-27(21-34(32)42-6)11-15-30(38)23-29(37)14-10-26-12-16-31(39)33(20-26)41-5/h8,10-21,23,25,28,35,38-40H,7,9,22H2,1-6H3/b14-10+,15-11+,30-23-/t25-,28+,35-,36+/m0/s1
Inchi KeyBLSJJGBHGVBYHF-XYHBIZDZSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score1.95
Records Key['3']
Records Name['Terpecurcumin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure