General
Preferred name
cynarine
Synonyms
1,3-O-Dicaffeoylquinic acid ()
1,5-Dicaffeoylquinic Acid ()
CYNARIN ()
1,3-Dicaffeoylquinic acid ()
Cynaricine ()
NSC-91529 ()
1,5-O-TRANS-DICAFFEOYLQUINIC ACID ()
P&D ID
PD030926
CAS
19870-46-3
30964-13-7
212891-05-9
Tags
available
drug
Drug indication
Vibrio cholerae infection
Drug Status
approved
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
2
Organisms
0
Compound Sets
11
AdooQ Bioactive Compound Library
A12004
Cayman Chemical Bioactives
25022
25050
Drug Repurposing Hub
DrugCentral
3124
DrugCentral Approved Drugs
3124
DrugMAP
DMUY2OR
DrugMAP Approved Drugs
DMUY2OR
MedChem Express Bioactive Compound Library
HY-N0359
HY-N1412
ReFrame library
Selleckchem Bioactive Compound Library
cynarin
TargetMol Bioactive Compound Library
T6S1529
T5736
External IDs
54
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
Cytoskeletal Signaling
PI3K/Akt/mTOR signaling
Immunology/Inflammation
oxidation-reduction
Anti-infection
Metabolic Enzyme/Protease
NF-κB
PI3K/Akt/mTOR
Target
Akt
PI3K
Antiviral
antioxidant
Influenza Virus
Reactive Oxygen Species
CD markers,Glutathione,Nrf2,ROS
Source data