naringin

Ligand id: 4738

Name: naringin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 8
Rotatable bonds 6
Topological polar surface area 225.06
Molecular weight 580.18
XLogP -1.05
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one
Database Links
CAS Registry No. 10236-47-2 (source: Scifinder)
ChEBI CHEBI:28819
ChEMBL Ligand CHEMBL451532
PubChem CID 442428
Search Google for chemical match using the InChIKey DFPMSGMNTNDNHN-ZPHOTFPESA-N
Search Google for chemicals with the same backbone DFPMSGMNTNDNHN
Wikipedia Naringin
Comments
Naringin is the foremost flavonoid in grapefruit and is reported to have a deleterious effect on intestinal drug absorption by inhibiting the transport protein OATP1A2 [1].