General
Preferred name
(-)-Catechin gallate
Synonyms
(-)-Catechin 3-O-gallate ()
(-)-Catechin 3-gallate ()
(-)-CATECHINGALLATE ()
(?)-Catechin Gallate ()
P&D ID
PD041723
CAS
130405-40-2
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
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
0
Organisms
1
Compound Sets
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
442.09
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
7
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
2.53
TPSA
177.14
Fraction CSP3
0.14
Chiral centers
2.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Target
COX
Source data
