O-1812   

GtoPdb Ligand ID: 732

Synonyms: O1812
Compound class: Synthetic organic
Comment: O-1812 is a synthetic analogue of the endocannabinoid, anandamide.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 18
Topological polar surface area 73.12
Molecular weight 414.32
XLogP 7.61
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES OCC(NC(=O)CCCC=CCC=CCC=CCC=CC(CCCCC#N)(C)C)C
Isomeric SMILES OC[C@H](NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C(CCCCC#N)(C)C)C
InChI InChI=1S/C26H42N2O2/c1-24(23-29)28-25(30)19-15-12-10-8-6-4-5-7-9-11-13-16-20-26(2,3)21-17-14-18-22-27/h4-5,8-11,16,20,24,29H,6-7,12-15,17-19,21,23H2,1-3H3,(H,28,30)/b5-4-,10-8-,11-9-,20-16-/t24-/m1/s1
InChI Key WZQHSBKOWZOASP-QLZKPENWSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(5Z,8Z,11Z,14Z)-20-cyano-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethylicosa-5,8,11,14-tetraenamide
Synonyms
O1812
Database Links
GtoPdb PubChem SID 135650753
PubChem CID 9823107
Search Google for chemical match using the InChIKey WZQHSBKOWZOASP-QLZKPENWSA-N
Search Google for chemicals with the same backbone WZQHSBKOWZOASP
Search UniChem for chemical match using the InChIKey WZQHSBKOWZOASP-QLZKPENWSA-N
Search UniChem for chemicals with the same backbone WZQHSBKOWZOASP
Wikipedia O-1812