Structure

InChI Key DSSYKIVIOFKYAU-XCBNKYQSSA-N
Smiles CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
InChI
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O
Molecular Weight 152.24
AlogP 2.4
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 17.07
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 11.0
Assay Description Organism Bioactivity Reference
Inhibition of COX2 at 100 uM by scintillation proximity assay None 30.0 %
Antifeedant activity against adult Spodoptera littoralis fed on compound treated artificial diet by choice feeding assay Spodoptera littoralis 50.0 microg/cm2
Antifeedant activity against adult Leptinotarsa decemlineata fed on compound treated potato foliage by choice feeding assay Leptinotarsa decemlineata 50.0 microg/cm2
Antifungal activity against Rhizoctonia solani Rhizoctonia solani 488.0 ug.mL-1
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 1.51 % 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 4.08 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 6.446 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 28.93 %
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 -0.16 % 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 -0.14 % 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 -0.16 % 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 -0.14 %

Related Entries

Cross References

Resources Reference
ChEBI 15396
ChEMBL CHEMBL504760
DrugBank DB01744
FDA SRS 5TJD82A1ET
Human Metabolome Database HMDB0059838
PDB CAM
SureChEMBL SCHEMBL16069
ZINC ZINC000000967520