Structure

InChI Key NOOLISFMXDJSKH-UHFFFAOYSA-N
Smile 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

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Stomach Neoplasms 3 D013274 ClinicalTrials
Hypertension 2 D006973 ClinicalTrials
Deglutition Disorders 2 D003680 ClinicalTrials
Diabetic Neuropathies 1 D003929 ClinicalTrials
Tobacco Use Disorder 1 D014029 ClinicalTrials

Related Entries

Mixture

Cross References

Resources Reference
ChEBI 25187
ChEMBL CHEMBL256087
EPA CompTox DTXSID8029650
FDA SRS L7T10EIP3A
Human Metabolome Database HMDB0035765
SureChEMBL SCHEMBL4612