2-arachidonyl glyceryl ether   Click here for help

GtoPdb Ligand ID: 5545

Synonyms: 2-AG ether | 2-arachidonylglyceryl ether | HU 310 | Noladin ether
PDB Ligand
Compound class: Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 18
Topological polar surface area 49.69
Molecular weight 364.3
XLogP 7.6
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO
InChI InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChI Key CUJUUWXZAQHCNC-DOFZRALJSA-N
References
1. Ryberg E, Larsson N, Sjögren S, Hjorth S, Hermansson NO, Leonova J, Elebring T, Nilsson K, Drmota T, Greasley PJ. (2007)
The orphan receptor GPR55 is a novel cannabinoid receptor.
Br J Pharmacol, 152 (7): 1092-101. [PMID:17876302]