JZL184   

GtoPdb Ligand ID: 5207

Synonyms: JZL 184 | JZL-184
Compound class: Synthetic organic
Comment: Can be used as an endocannabinoid signaling probe; analgesic properties.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 129.83
Molecular weight 520.15
XLogP 4.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1ccc2c(c1)OCO2)O)Oc1ccc(cc1)[N+](=O)[O-]
Isomeric SMILES O=C(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1ccc2c(c1)OCO2)O)Oc1ccc(cc1)[N+](=O)[O-]
InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
InChI Key SEGYOKHGGFKMCX-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-nitrophenyl 4-[bis(2H-1,3-benzodioxol-5-yl)(hydroxy)methyl]piperidine-1-carboxylate
Synonyms
JZL 184 | JZL-184
Comments
Can be used as an endocannabinoid signaling probe; analgesic properties.
Database Links
CAS Registry No. 1101854-58-3
ChEMBL Ligand CHEMBL576786
GtoPdb PubChem SID 178101893
PubChem CID 25021165
Search Google for chemical match using the InChIKey SEGYOKHGGFKMCX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SEGYOKHGGFKMCX
Search UniChem for chemical match using the InChIKey SEGYOKHGGFKMCX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SEGYOKHGGFKMCX
Wikipedia JZL184

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Tocris
JZL 184
Cat. No. 3836