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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: SPE01503602
Replicates: 2
Raw OD Value: r im 0.0690±0.00254558
Normalized OD Score: sc h 0.1975±0.00140106
Z-Score: -5.1418±0.0709163
p-Value: 0.00000028159
Z-Factor: -0.59966
Fitness Defect: 15.0828
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.30 Celcius
Date:2006-11-15 YYYY-MM-DD
Plate CH Control (+):0.040400000000000005±0.00188
Plate DMSO Control (-):0.36134999999999995±0.25104
Plate Z-Factor:-0.5306
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DBLink | Rows returned: 10<< Back 1 2
6328166 bismuth; 3,4,5-trihydroxybenzoic acid; hydrate
6328821 (4-carboxy-2-hydroxy-6-oxonio-phenyl)oxidanium; germanium; dihydrate
6334531 5-carboxy-3-hydroxy-benzene-1,2-diolate; germanium; dihydrate
6381803 (4-carboxy-2-hydroxy-6-oxonio-phenyl)oxidanium; germanium; dihydroxide

internal high similarity DBLink | Rows returned: 0

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

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