PYROGALLOL

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Synonyms
Status
Molecule Category Free-form
UNII 01Y4A2QXY0
EPA CompTox DTXSID6025983

Structure

InChI Key WQGWDDDVZFFDIG-UHFFFAOYSA-N
Smiles Oc1cccc(O)c1O
InChI
InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6O3
Molecular Weight 126.11
AlogP 0.8
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 60.69
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 9.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Adhesion
- - - - 1.7-13.5
Enzyme Hydrolase
- - - - 49
Enzyme Lyase
- - - 520-540 -
Enzyme Oxidoreductase
- - - - 57
Enzyme Protease Metallo protease Metallo protease MG clan Metallo protease M24A subfamily
- - - - 37
Enzyme
- - - 520-540 37
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacteria
- - - - 63
Homo sapiens
- - - 520-540 1.7-49
Influenza A virus (A/California/04/2009(H1N1))
- - - - 21
Rattus norvegicus
- - - - 42
Staphylococcus aureus
490 - - - -
Staphylococcus epidermidis
990 - - - -

Cross References

Resources Reference
ChEBI 16164
ChEMBL CHEMBL307145
FDA SRS 01Y4A2QXY0
Human Metabolome Database HMDB0013674
KEGG C01108
PDB PYG
PubChem 1057
SureChEMBL SCHEMBL3532
ZINC ZINC000000330141
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