octopamine

Ligand id: 2149

Name: octopamine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 66.48
Molecular weight 153.08
XLogP 0.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
4-(2-amino-1-hydroxyethyl)phenol
International Nonproprietary Names
INN number INN
3653 octopamine
Database Links
CAS Registry No. 770-05-8 (source: NCI)
ChEBI CHEBI:17134
ChEMBL Ligand CHEMBL53929
PubChem CID 4581
Search Google for chemical match using the InChIKey QHGUCRYDKWKLMG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QHGUCRYDKWKLMG
Search PubMed clinical trials octopamine
Search PubMed titles octopamine
Search PubMed titles/abstracts octopamine
Search UniChem for chemical match using the InChIKey QHGUCRYDKWKLMG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QHGUCRYDKWKLMG
Wikipedia Octopamine
Comments
Please note that the two PDB links in the table above represent (R)-octopamine and (S)-octopamine respectively. All other database entries linked to above do not specify stereochemistry.