General
Preferred name
Isochlorogenic acid A
Synonyms
3,5-Dicaffeoylquinic acid ()
(-)-3,5-Dicaffeoyl quinic acid ()
P&D ID
PD098463
CAS
89919-62-0
2450-53-5
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 A is a plant-derived natural product.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
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
2.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
DNA/RNA Synthesis
Pathway
DNA Damage/DNA Repair
Target
tRNA synthetase of Giardia lamblia
Source data
