arecaidine   Click here for help

GtoPdb Ligand ID: 9487

Synonyms: methylguvacine | N-methylguvacine
Compound class: Synthetic organic
Comment: Arecaidine is an alkaloid found in betel nuts (Areca catechu).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 40.54
Molecular weight 141.08
XLogP -0.15
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CC(=CCC1)C(=O)O
Isomeric SMILES CN1CC(=CCC1)C(=O)O
InChI InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
InChI Key DNJFTXKSFAMXQF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-methyl-5,6-dihydro-2H-pyridine-3-carboxylic acid
Synonyms Click here for help
methylguvacine | N-methylguvacine
Database Links Click here for help
CAS Registry No. 499-04-7 (source: PubChem)
ChEMBL Ligand CHEMBL432561
GtoPdb PubChem SID 329968427
PubChem CID 10355
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