Molecular Details
DICL_CP_0308070
- (5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308070
PubChem CID
Molecular Formula
C10H16O Molecular Weight
152.237 g/mol
Synonyms/Alias
[Pulegone; (+)-Pulegone; 89-82-7; (R)-Pulegone; d-Pulegone; (R)-(+)-Pulegone; Pulegon; (+)-(R)-Pulegone; (1R)-(+)-p-Menth-4(8)-en-3-one; Pulegone; d-; Pulegone (natural); Cyclohexa; 5-methyl-2-(1-meth...
InChI Key
NZGWDASTMWDZIW-MRVPVSSYSA-N
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
IUPAC Name
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
CAS Number
89-82-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
11 11 0 0 0 0 0 0 0 0999 V2000
-3.8254 0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3278 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6517 1...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 1
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 65 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Extracellular solution pH 7.4/Intracellular solution pH 7.2
Holding Potential
−80 mV mV
Temperature
23–25 °C
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
11
Rotatable Bonds
0
logP
2.7119
Complexity
46.396
TPSA (Ų)
17.07
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
1