Bioactive Compound Details

BioIDbio2875
NameDIMETHYLCURCUMIN
ChEMBL IDCHEMBL128748
Molecular FormulaC23H24O6
Molecular Weight396.44
Molecular Weight (Monoisotopic)396.1573
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsASCJ-9|CHC-004|DIMETHYLCURCUMIN|GO-Y-025|Go-Y025
SmilesCOc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC
InchiInChI=1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-15,24H,1-4H3/b9-5+,10-6+,18-15-
Inchi KeyZMGUKFHHNQMKJI-CIOHCNBKSA-N
Molecular SpeciesNEUTRAL
Targets25.0
Bioactivities51.0
Np Likeness Score0.62
Records Key['GO-Y025', '11a', '4', '2, DMC', '17', '4f', '6', '71, JC-9, ASC-J9', '1b', '7b', '3', 'DIMETHYLCURCUMIN, ASC-J9', 'DIMETHYLCURCUMIN', '21', '2', '2, BMC', '15', '23', 'Dimethylcurcumin; ASC-J9', 'Dimethylcurcumin; ASC-J9', 'COVC-3893737214', 'Dimethylcurcumin; ASC-J9', '4a', '82', '129; ASC-J9']
Records Name['(1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one', '(1E,4Z,6E)-1,7-Bis-(3,4-dimethoxy-phenyl)-5-hydroxy-hepta-1,4,6-trien-3-one', '1,7-Bis-(3,4-dimethoxy-phenyl)-5-hydroxy-hepta-1,4,6-trien-3-one', '(1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one', '1,7-Bis-(3,4-dimethoxy-phenyl)-5-hydroxy-hepta-1,4,6-trien-3-one', '1,7-Bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one', '1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one', '1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one', '5-hydroxy-1,7-bis(3,4-dimethoxyphenyl)hepta-1,4,6-trien-3-one', '1,7-Bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one', '1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one', 'DIMETHYLCURCUMIN, ASC-J9', 'DIMETHYLCURCUMIN', 'Dimethylcurcumin', '1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one', 'Bismethoxycurcumin', '1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one', '1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one', 'Dimethylcurcumin; ASC-J9', 'Dimethylcurcumin; ASC-J9', 'DIMETHYLCURCUMIN', 'Dimethylcurcumin; ASC-J9', '1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one', 'Dimethylcurcumin', '1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure