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Compound InformationSONAR Target prediction
Name:

GALLIC ACID

Unique Identifier:SPE00210369
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:164.072 g/mol
X log p:4.357  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:OC(=O)c1cc(O)c(O)c(O)c1
Class:aromatic
Source:insect galls
Reference:J Chem Soc 1961:1854; Agric Biol Chem 30:617 (1966); Phytochemistry 10:894 (1971);
11:1911 (1972); Cancer Res 39:844 (1979); J Med Chem 22:589 (1979)
Therapeutics:antineoplastic, astringent, antibacterial

Found: 7 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 Next >> 
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.7396±0.0253851
Normalized OD Score: sc h 1.1986±0.063225
Z-Score: 4.1317±0.977525
p-Value: 0.000291018
Z-Factor: -0.541416
Fitness Defect: 8.1421
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.039125±0.00116
Plate DMSO Control (-):0.66885±0.02433
Plate Z-Factor:0.8784
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DBLink | Rows returned: 102 Next >> 
370 3,4,5-trihydroxybenzoic acid
67314 bismuth(+3) cation; 3,4,5-trihydroxybenzoate; hydroxide; iodide
86954 lithium 3,4,5-trihydroxybenzoate
92702 bismuth(+3) cation; 3,4,5-trihydroxybenzoate
159638 sodium 3,4,5-trihydroxybenzoate
4598586 3,4,5-trihydroxybenzoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 8976 | Additional Members: 4 | Rows returned: 0

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