General
Preferred name
PD158077
Synonyms
3-O-Methylgallic acid ()
3,4-Dihydroxy-5-methoxybenzoic acid ()
P&D ID
PD158077
CAS
3934-84-7
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
184.04
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.8
TPSA
86.99
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Source data
