GALLIC ACID

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Synonyms
Status
Molecule Category Free-form
UNII 632XD903SP
EPA CompTox DTXSID0020650

Structure

InChI Key LNTHITQWFMADLM-UHFFFAOYSA-N
Smiles O=C(O)c1cc(O)c(O)c(O)c1
InChI
InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6O5
Molecular Weight 170.12
AlogP 0.5
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 97.99
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 3-4
Enzyme Oxidoreductase
- - - - 31.7
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M12B subfamily
- - - - 38.9-47.9
Enzyme Transferase
- 60 924 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 67.94-91.35
Unclassified protein
- - - - 78.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agaricus bisporus
- - - - 31.7
Cricetulus griseus
- - - - 67.94-91.35
Glycine max
- - - - 60.5
Hepatitis GB virus B
- - - - 97.14
Homo sapiens
- 60 924 - 3-98
Influenza A virus (A/RI/5+/1957(H2N2))
- - - - 3
Mus musculus
- - - - 21.5
Staphylococcus aureus
- - - - 8.7-41.4
Sus scrofa
- - - - 4

Related Entries

Cross References

Resources Reference
ChEBI 30778
ChEMBL CHEMBL288114
FDA SRS 632XD903SP
Human Metabolome Database HMDB0005807
Guide to Pharmacology 5549
KEGG C01424
PDB GDE
PubChem 370
SureChEMBL SCHEMBL15012
ZINC ZINC000000001504
CONTENTS