General
Preferred name
HESPERIDIN
Synonyms
Hesperetin-7-rutinoside ()
Hesperetin 7-rutinoside ()
Cirantin ()
Hesperidin ()
HESPERIDINE ()
NSC-31048 ()
P&D ID
PD013341
CAS
520-26-3
106904-63-6
Tags
natural product
drug
available
Drug Status
investigational
approved
Drug indication
Vascular purpura
Max Phase
Phase 3
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
15
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugMAP
DrugMAP Approved Drugs
MedChem Express Bioactive Compound Library
NPC Screening Collection
Other bioactive compounds
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
38
Properties
(calculated by RDKit )
Molecular Weight
610.19
Hydrogen Bond Acceptors
15
Hydrogen Bond Donors
8
Rotatable Bonds
7
Ring Count
5
Aromatic Ring Count
2
cLogP
-1.16
TPSA
234.29
Fraction CSP3
0.54
Chiral centers
11.0
Largest ring
6.0
QED
0.18
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Autophagy
Apoptosis
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
AURKB, CACNA1B
Endogenous Metabolite
Reactive Oxygen Species
MOA
flavanone glycoside
Source data
