TROLOX

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
UNII S18UL9710X
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key GLEVLJDDWXEYCO-UHFFFAOYSA-N
Smiles Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)O
InChI
InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H18O4
Molecular Weight 250.29
AlogP 3.49
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 66.76
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 18.0
Assay Description Organism Bioactivity Reference
Antiviral activity against Unidentified Influenza A virus (H1N2) infected MDCK cells assessed as inhibition of virus-induced cytopathicity Unidentified Influenza A virus (H1N2) None
Antiviral activity against Unidentified Influenza A virus (H1N2) infected MDCK cells assessed as inhibition of virus-induced cytopathicity Unidentified Influenza A virus (H1N2) None
Antiviral activity against Feline coronavirus infected feline kidney crandell cells assessed as inhibition of virus-induced cytopathicity Feline coronavirus None
Antiviral activity against Respiratory syncytial virus infected human HeLa cells assessed as inhibition of virus-induced cytopathicity Respiratory syncytial virus None
Antiviral activity against Human coxsackievirus B4 infected human HeLa cells assessed as inhibition of virus-induced cytopathicity Human coxsackievirus B4 None
Antiviral activity against Human coxsackievirus B4 infected VERO cells assessed as inhibition of virus-induced cytopathicity Human coxsackievirus B4 None
Antiviral activity against Mammalian orthoreovirus 1 infected VERO cells assessed as inhibition of virus-induced cytopathicity Mammalian orthoreovirus 1 None
Antiviral activity against Human parainfluenza virus 3 infected Vero cells assessed as inhibition of virus-induced cytopathicity Human parainfluenza virus 3 None
Antiviral activity against Vesicular stomatitis virus infected HEL cells assessed as inhibition of virus-induced cytopathicity Vesicular stomatitis virus None
Antiviral activity against Vaccinia virus infected human HEL cells assessed as inhibition of virus-induced cytopathicity Vaccinia virus None
Antiviral activity against Human herpesvirus 2 strain G infected human HEL cells assessed as inhibition of virus-induced cytopathicity Human herpesvirus 2 strain G None
Antiviral activity against Human simplex virus 1 KOS infected in human HEL cells assessed as inhibition of virus-induced cytopathicity Human herpesvirus 1 strain KOS None
Antiviral activity against Sindbis virus infected Hela cells assessed as inhibition of virus-induced cytopathicity Sindbis virus None
Antiviral activity against Punta Toro virus infected Hela cells assessed as inhibition of virus-induced cytopathicity Punta Toro virus None
Antiviral activity against Vesicular stomatitis virus infected Hela cells assessed as inhibition of virus-induced cytopathicity Vesicular stomatitis virus None
Antioxidant activity assessed as inhibition of AAPH-induced lipid peroxidation at 1 X 10'-4 M None 63.0 %
Antioxidant activity assessed as inhibition of AAPH-induced lipid peroxidation at 1 X 10'-5 M None None
Inhibition of Glycine max (soybean) lipoxygenase using sodium linoleate as substrate at 1 X 10'-4 Glycine max None
Antioxidant activity assessed as DPPH radical scavenging activity at 1 X 10'-4 M after 60 min None None
Antioxidant activity assessed as DPPH radical scavenging activity at 1 X 10'-4 M after 20 min None None
Antioxidant activity assessed as DPPH radical scavenging activity at 5 X 10'-5 M after 60 min None None
Antioxidant activity assessed as DPPH radical scavenging activity at 5 X 10'-5 M after 20 min None None
Antioxidant activity in PMA-stimulated Homo sapiens (human) HL60 cells assessed as inhibition of intracellular ROS generation incubated for 30 min prior to PMA stimulation measured after 30 min by DCFH-DA assay Homo sapiens 0.3 ug.mL-1
Antioxidant activity assessed as concentration required for 50% DPPH free radical scavenging activity after 30 min by spectrophotometric analysis None 4.8 uM
Antioxidant activity assessed as DPPH free radical scavenging activity at 20 ug/ml after 30 min by spectrophotometric analysis None 99.5 %
Antioxidant activity assessed as Fe2+ reducing power after 20 min None 41930.0 nM
Antioxidant activity assessed as DPPH free radical scavenging activity after 30 min by UV-VIS spectrophotometer analysis None 36000.0 nM
Antioxidant activity assessed as inhibition of linoleic acid peroxidation at 100 mg/l after 24 hr by spectrophotometric analysis None None
Antioxidant activity assessed as DPPH free radical scavenging activity at 0.06 mg/ml after 5 to 60 min by spectrophotometric analysis None None

Cross References

Resources Reference
ChEMBL CHEMBL153
FDA SRS S18UL9710X
PubChem 40634
SureChEMBL SCHEMBL3226
CONTENTS