General
Preferred name
NEOHESPERIDIN DIHYDROCHALCONE
Synonyms
Neohesperidin DC ()
NHDC ()
Neohesperidin dihydrochalcone (Nhdc) ()
NCI-c60764 ()
P&D ID
PD071639
CAS
20702-77-6
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
AdooQ Bioactive Compound Library
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
612.21
Hydrogen Bond Acceptors
15
Hydrogen Bond Donors
9
Rotatable Bonds
10
Ring Count
4
Aromatic Ring Count
2
cLogP
-1.34
TPSA
245.29
Fraction CSP3
0.54
Chiral centers
10.0
Largest ring
6.0
QED
0.14
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Reactive Oxygen Species
Source data
