General
Preferred name
Neohesperidin
Synonyms
Hesperetin 7-O-neohesperidoside ()
NSC 31048 ()
P&D ID
PD061202
CAS
13241-33-3
Tags
natural product
available
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
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
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
oxidation-reduction
Target
antioxidant
MOA
Others inhibitor
Source data
