Phyto4Health

Dl-Anabasine

Representations & DB's id

ChEBI: CHEBI:28986
ChEMBL: CHEMBL280963
PubChem: 2181
IUPAC: 3-piperidin-2-ylpyridine
Standard InChI: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
Standard InChI Key: MTXSIJUGVMTTMU-UHFFFAOYSA-N
SMILES: C1CCC(NC1)c1cccnc1

Molecular propeties

AlogP: 1.9
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 1
Rotatable bonds: 1
Number of rings: 2
Molecular Weight: 162.12
Topological polar surface area: 24.9
Number of aromatic rings: 1
Fsp3: 0.5
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
PlantNicotiana tabacum
PlantNicotiana tabacum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency14125.4 nMSurvival motor neuron proteinQ16637
Potency3548.1 nMDNA polymerase betaP06746
Potency10000 nMGuanine nucleotide-binding protein G(s), subunit alphaP63092