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Compound InformationSONAR Target prediction
Name:

JUGLONE

Unique Identifier:SPE00300038
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:168.105 g/mol
X log p:9.674  (online calculus)
Lipinksi Failures1
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:Oc1cccc2c(=O)ccc(=O)c12
Class:quinone
Source:leaves and nuts of Juglans spp., Carya spp and Pterocarya spp.
Therapeutics:antineoplastic, antifungal

Found: 16 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: SAC3
Replicates: 2
Raw OD Value: r im 0.3700±0.0101116
Normalized OD Score: sc h 0.8375±0.00210091
Z-Score: -4.7101±0.0669922
p-Value: 0.00000254062
Z-Factor: 0.371173
Fitness Defect: 12.8831
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2008-05-16 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00035
Plate DMSO Control (-):0.42262500000000003±0.01287
Plate Z-Factor:0.8917
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DBLink | Rows returned: 1
3806 5-hydroxynaphthalene-1,4-dione

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7565 | Additional Members: 10 | Rows returned: 6
SPE01505129 0.475
SPE00300545 0.35
LAT015F08 0.333333333333333
LAT005F04 0.290322580645161
SPE00211468 0
LAT005A05 0

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