General
Preferred name
cynarine
Synonyms
1,5-Dicaffeoylquinic Acid ()
CYNARIN ()
Cynaricine ()
NSC-91529 ()
1,3-Dicaffeoylquinic acid ()
P&D ID
PD072212
CAS
30964-13-7
212891-05-9
Tags
available
drug
Drug indication
Vibrio cholerae infection
Drug Status
approved
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
9
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
516.13
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
7
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
2
cLogP
1.03
TPSA
211.28
Fraction CSP3
0.24
Chiral centers
4.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
oxidation-reduction
Anti-infection
Metabolic Enzyme/Protease
NF-κB
Target
Antiviral
antioxidant
Influenza Virus
Reactive Oxygen Species
CD markers,Glutathione,Nrf2,ROS
Source data
