tyramine   Click here for help

GtoPdb Ligand ID: 2150

Synonyms: p-tyramine
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 46.25
Molecular weight 137.08
XLogP 0.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCc1ccc(cc1)O
Isomeric SMILES NCCc1ccc(cc1)O
InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
InChI Key DZGWFCGJZKJUFP-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
4-(2-Aminoethyl)phenol
Synonyms Click here for help
p-tyramine
Database Links Click here for help
BindingDB Ligand 29135
CAS Registry No. 51-67-2
ChEBI CHEBI:15760
ChEMBL Ligand CHEMBL11608
DrugCentral Ligand 2784
GtoPdb PubChem SID 135651582
PubChem CID 5610
RCSB PDB Ligand AEF
Search Google for chemical match using the InChIKey DZGWFCGJZKJUFP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DZGWFCGJZKJUFP
Search UniChem for chemical match using the InChIKey DZGWFCGJZKJUFP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DZGWFCGJZKJUFP
Wikipedia Tyramine