HYMECROMONE

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Synonyms
Status
Molecule Category UNKNOWN
ATC A05AX02
UNII 3T5NG4Q468
EPA CompTox DTXSID8025670

Structure

InChI Key HSHNITRMYYLLCV-UHFFFAOYSA-N
Smiles Cc1cc(=O)oc2cc(O)ccc12
InChI
InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8O3
Molecular Weight 176.17
AlogP 1.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 50.44
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 13.0
Assay Description Organism Bioactivity Reference
Antiinflammatory activity in mouse J774 cells assessed as inhibition of LPS-induced NO production at 10 uM by Griess reaction Mus musculus -14.2 %
Antiinflammatory activity in mouse J774 cells assessed as inhibition of LPS-induced NO production at 100 uM by Griess reaction Mus musculus 42.9 %
Inhibition of LPS-stimulated iNOS protein expression in mouse J774 cells at 10 uM by RT-PCR analysis Mus musculus 22.1 %
Inhibition of LPS-stimulated iNOS protein expression in mouse J774 cells at 100 uM by RT-PCR analysis Mus musculus 61.8 %
Antiinflammatory activity in mouse J774 cells assessed as inhibition of LPS-induced IL-6 production at 10 uM by ELISA Mus musculus 3.2 %
Antiinflammatory activity in mouse J774 cells assessed as inhibition of LPS-induced IL-6 production at 100 uM by ELISA Mus musculus 22.7 %
Inhibition of LPS-stimulated COX2 protein expression in mouse J774 cells at 10 uM by chemiluminescence assay Mus musculus 4.6 %
Inhibition of LPS-stimulated COX2 protein expression in mouse J774 cells at 100 uM by chemiluminescence assay Mus musculus 44.1 %
Inhibition of human recombinant CA9 after 6 hrs by stopped flow CO2 hydration assay Homo sapiens 560.0 nM
Inhibition of electric eel AChE at 2 mg/ml by Ellman's method Electrophorus electricus 4.46 %
Inhibition of horse BChE at 2 mg/ml by Ellman's method Equus caballus 0.88 %
Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation at 20 uM after 46 to 48 hrs by thioflavin T-based fluorometric assay Homo sapiens 21.5 %
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs by Ellman's method Equus caballus 100.0 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens 3.02 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 106.47 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 106.81 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.01 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.01 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.01 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.01 %

Cross References

Resources Reference
ChEBI 17224
ChEMBL CHEMBL12208
DrugBank DB07118
DrugCentral 1401
FDA SRS 3T5NG4Q468
Human Metabolome Database HMDB0059622
KEGG C03081
PDB 4MU
PubChem 5280567
SureChEMBL SCHEMBL24150
ZINC ZINC000000058121
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