General
Preferred name
Chicoric Acid
Synonyms
(-)-Chicoric acid ()
trans-Caffeoyltartaric acid ()
Dicaffeoyltartaric acid ()
CICHORIC ACID ()
L-Chicoric Acid ()
P&D ID
PD052435
CAS
6537-80-0
70831-56-0
Tags
covalent binder
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 ]]
Cell lines
2
Organisms
2
Compound Sets
7
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
CovalentInDB
EU-OPENSCREEN Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
474.08
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
6
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
2
cLogP
1.23
TPSA
208.12
Fraction CSP3
0.09
Chiral centers
2.0
Largest ring
6.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Microbiology&virology
Apoptosis
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Anti-infection
Target
HIV-I integrase
Reactive Oxygen Species
Endogenous Metabolite
HIV
HIV Integrase
MOA
HIV Protease inhibitor
Source data
