allicin

Ligand id: 2419

Name: allicin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 61.58
Molecular weight 162.02
XLogP 0.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
3-prop-2-enylsulfinylsulfanylprop-1-ene
Database Links
BindingDB Ligand 50240948
CAS Registry No. 539-86-6 (source: ChEBI)
ChEBI CHEBI:28411
ChEMBL Ligand CHEMBL359965
PubChem CID 65036
Search Google for chemical match using the InChIKey JDLKFOPOAOFWQN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JDLKFOPOAOFWQN
Wikipedia Allicin
Comments
From garlic