General
Preferred name
PD125006
Synonyms
1,3,5-Tricaffeoylquinic acid ()
P&D ID
PD125006
Tags
natural product
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 ]]
Compound Sets
1
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
678.16
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
8
Rotatable Bonds
10
Ring Count
4
Aromatic Ring Count
3
cLogP
2.71
TPSA
257.81
Fraction CSP3
0.18
Chiral centers
2.0
Largest ring
6.0
QED
0.07
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HIV
Pathway
Anti-infection
Source data
