NADA   Click here for help

GtoPdb Ligand ID: 4261

Synonyms: N-arachidonyl dopamine
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 18
Topological polar surface area 69.56
Molecular weight 439.31
XLogP 9.36
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCc1ccc(c(c1)O)O
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(c(c1)O)O
InChI InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-
InChI Key MVVPIAAVGAWJNQ-DOFZRALJSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide
Synonyms Click here for help
N-arachidonyl dopamine
Database Links Click here for help
CAS Registry No. 199875-69-9 (source: Scifinder)
ChEMBL Ligand CHEMBL138921
GtoPdb PubChem SID 178101078
PubChem CID 5282105
Search Google for chemical match using the InChIKey MVVPIAAVGAWJNQ-DOFZRALJSA-N
Search Google for chemicals with the same backbone MVVPIAAVGAWJNQ
Search UniChem for chemical match using the InChIKey MVVPIAAVGAWJNQ-DOFZRALJSA-N
Search UniChem for chemicals with the same backbone MVVPIAAVGAWJNQ
Wikipedia N-Arachidonoyl_dopamine

Product suppliers

View disclaimer

Tocris
NADA
Cat. No. 1568