Molecular Details
DICL_CP_0316560
- pentadecanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316560
PubChem CID
Molecular Formula
C15H30O2 Molecular Weight
242.403 g/mol
Synonyms/Alias
[PENTADECANOIC ACID; 1002-84-2; Pentadecylic acid; n-Pentadecanoic acid; Pentadecyclic acid; n-Pentadecylic acid; NSC 28486; C15:0; 2;2-DIDEUTEROPENTADECANOIC ACID; MFCD00002745; Pentadecanoic acid; 9...
InChI Key
WQEPLUUGTLDZJY-UHFFFAOYSA-N
InChI
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
IUPAC Name
pentadecanoic acid
CAS Number
1002-84-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
47 46 0 0 0 0 0 0 0 0999 V2000
-6.7153 -0.6948 1.8856 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7445 -0.0180 0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4596 0.768...
Experimental Data
Activity Data
Target Ion Channel
Piezo1
Uniprot Accession Number
Function
Inactive
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
pH 7.3
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay (Calcium imaging)
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
13
logP
5.1622
Complexity
73.3308
TPSA (Ų)
37.3
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
0