General
Preferred name
Isochlorogenic acid B
Synonyms
3,4-Dicaffeoylquinic acid ()
3,4-Di-O-caffeoylquinic acid ()
P&D ID
PD012055
CAS
14534-61-3
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Isochlorogenic acid B is a plant-derived natural product.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
7
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2023/24
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
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
oxidation-reduction
Anti-infection
Apoptosis
Metabolic Enzyme/Protease
Target
antioxidant
Endogenous Metabolite
Glucosidase
Influenza Virus
MOA
Antioxidant
Source data
