General Information of DIG (ID: E05WMG)
DIG Name
Oleth-2
Synonyms    Click to Show/Hide the Synonyms of This DIG
Oleth-2; UNII-7L6R1SQ6M0; 5274-65-7; 7L6R1SQ6M0; 2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol; Genapol 2; Oleth-2 [INCI]; Oleth-2 [VANDF]; Polyoxyl 2 oleyl ether; Oleth-2 [II]; BRIJ 93; Diethylene glycol monooleyl ether; Chemonic OE-2 ethoxylated alcohol; Brij-92; Ethanol, 2-(2-((9Z)-9-octadecenyloxy)ethoxy)-; Ethanol, 2-(2-(9-octadecenyloxy)ethoxy)-, (Z)-; Ethanol, 2-(2-((9Z)-9-octadecen-1-yloxy)ethoxy)-; SCHEMBL2123908; Q27268502
DIG Function
Emulsifying agent; Surfactant
PubChem CID
13387455
Formula
C22H44O3
Canonical SMILES
CCCCCCCC/C=C\\CCCCCCCCOCCOCCO
InChI
1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKey
MGYUQZIGNZFZJS-KTKRTIGZSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=13387455"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 356.6 Topological Polar Surface Area 38.7
XlogP 7.3 Complexity 254
Heavy Atom Count 25 Rotatable Bond Count 21
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Cannabinoid CB1 receptor (CNR1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 39810.72 nM (estimated based on the structural similarity with CHEMBL200113 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.793103448
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID CNR1_RAT
References
1 3D-QSAR studies on cannabinoid CB1 receptor agonists: G-protein activation as biological data. J Med Chem. 2006 Jan 26; 49(2):554-66.

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