Structure

InChI Key NOOLISFMXDJSKH-UHFFFAOYSA-N
Smiles CC1CCC(C(C)C)C(O)C1
InChI
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O
Molecular Weight 156.27
AlogP 2.44
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 11.0

Bioactivity

Mechanism of Action Action Reference
Transient receptor potential cation channel subfamily A member 1 opener OPENER PubMed
Protein: Transient receptor potential cation channel subfamily A member 1

Description: Transient receptor potential cation channel subfamily A member 1

Organism : Homo sapiens

O75762 ENSG00000104321
Protein: Transient receptor potential cation channel subfamily M member 8

Description: Transient receptor potential cation channel subfamily M member 8

Organism : Homo sapiens

Q7Z2W7 ENSG00000144481
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Transient receptor potential channel
3000-93000 19000-92000 14400 - -
Assay Description Organism Bioactivity Reference
Induction of toxin TSST-1 production in Staphylococcus aureus MN8 at 6.40 mM after 24 hrs relative to control Staphylococcus aureus 1.8 %
Induction of toxin TSST-1 production in Staphylococcus aureus MN8 at 3.20 mM after 24 hrs relative to control Staphylococcus aureus 24.4 %
Fungitoxicity against Colletotrichum gloeosporioides assessed as mycelial growth inhibition by poisoned food technique Colletotrichum gloeosporioides 452.0 ug.mL-1

Related Entries

Cross References

Resources Reference
ChEBI 25187
ChEMBL CHEMBL256087
FDA SRS L7T10EIP3A
Human Metabolome Database HMDB0035765
SureChEMBL SCHEMBL4612