General
Preferred name
CHLOROGENIC ACID
Synonyms
Heriguard ()
NSC-407296 ()
3-O-Caffeoylquinic acid ()
NSC 407296 ()
NSC 407296, Heriguard ()
Cp chlorogenic acid ()
Trans-caffeic acid 5-o-d-quinate ()
NSC-70861 ()
5-cqa ()
Trans-chlorogenic acid ()
trans-5-O-Caffeoylquinic acid ()
P&D ID
PD002138
CAS
327-97-9
202650-88-2
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Drug Status
investigational
Max Phase
Phase 2
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Chlorogenic acid is a natural product that is present in coffee and black tea and some other plants. Chemically it is a caffeic acid-quinic acid ester. It has been attributed with several biological activities, including antioxidant, anti-carcinogenic and immunomodulatory effects . (GtoPdb)
Cell lines
0
Organisms
1
Compound Sets
13
AdooQ Bioactive Compound Library
A10202
Cayman Chemical Bioactives
70930
ChEMBL Drugs
CHEMBL284616
Drug Repurposing Hub
DrugBank
DB12029
DrugMAP
DM2Y3P4
Guide to Pharmacology
12477
MedChem Express Bioactive Compound Library
HY-N0055
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
Chlorogenic-acid
TargetMol Bioactive Compound Library
T2805
The Spectrum Collection
External IDs
52
Properties
(calculated by RDKit )
Molecular Weight
354.1
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
6
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
1
cLogP
-0.65
TPSA
164.75
Fraction CSP3
0.38
Chiral centers
4.0
Largest ring
6.0
QED
0.23
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Anti-infection
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Indication
headache, chest congestion, allergic rhinitis
Disease Area
neurology/psychiatry, pulmonary, allergy
Target
SLC37A4
Bacterial
Endogenous Metabolite
HIF/HIF Prolyl-Hydroxylase
Influenza Virus
Reactive Oxygen Species
MOA
Antioxidant
Source data