General
Preferred name
HESPERETIN
Synonyms
Hesperitin ()
Eriodictyol 4'-monomethyl ether ()
FEMA NO. 4313 ()
(-)-hesperetin ()
NSC-57654 ()
P&D ID
PD001966
CAS
520-33-2
41001-90-5
Tags
natural product
drug
available
Drug indication
High blood cholesterol level
Drug Status
investigational
approved
experimental
Max Phase
0.5
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Hesperetin is a natural flavonoid. It has antibacterial activity against Gram-negative H. pylori . (GtoPdb)
Cell lines
4
Organisms
0
Compound Sets
15
AdooQ Bioactive Compound Library
A10449
Cayman Chemical Bioactives
10006084
ChEMBL Drugs
CHEMBL399121
Drug Repurposing Hub
DrugBank
DB01094
DrugCentral
1362
DrugCentral Approved Drugs
1362
DrugMAP
DMKER83
DrugMAP Approved Drugs
DMKER83
Guide to Pharmacology
10953
MedChem Express Bioactive Compound Library
HY-N0168
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
Hesperetin
TargetMol Bioactive Compound Library
T2565
The Spectrum Collection
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
302.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
2
cLogP
2.52
TPSA
96.22
Fraction CSP3
0.19
Chiral centers
1.0
Largest ring
6.0
QED
0.79
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Stem Cells
Neuroscience
Apoptosis
Autophagy
MAPK/ERK Pathway
Target
HT
TGF??
DGAT1, MTTP, SOAT1, SOAT2
p38 MAPK
Histamine Receptor,TGF-beta/Smad
Member status
member
MOA
Lipid Lowering Agents
Antioxidants
Triglyceride Lowering Agents
Cytochrome P450 CYP1B1 Inhibitors
TRPM3 Antagonists
ACAT inhibitor
Therapeutic Class
Anticholesteremic Agents
Source data