Molecular Details
DICL_CP_0382872
- (Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0382872
PubChem CID
Molecular Formula
C26H43NO3 Molecular Weight
417.634 g/mol
Synonyms/Alias
['N-Oleoyldopamine'; 'OLDA'; 'N-Oleoyl dopamine'; 'N-oleoyl-dopamine'; '105955-11-1'; 'OLEOYL DOPAMINE'; 'UNII-T87P7X9XSZ'; '...
InChI Key
QQBPLXNESPTPNU-KTKRTIGZSA-N
InChI
InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22...
IUPAC Name
(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enamide
CAS Number
404-86-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
73 73 0 0 0 0 0 0 0 0999 V2000
-8.9640 -0.7024 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8415 -0.1593 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4481 -0.381...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 1-L547M/I550T
Uniprot Accession Number
Function
Agonist
Species
Oryctolagus cuniculus (Rabbit)
IC50
N/A (Not available)
EC50
EC50: 7597 nM
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
−60 mV mV
Temperature
20–22 °C
Test Method
Patch-clamping
Test Species
HEK293 cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
residues Y512, S513, T551, and E571
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
30
Rotatable Bonds
18
logP
6.794
Complexity
125.9373
TPSA (Ų)
69.56
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
1