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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: 193 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [193]
Species: 4932
Condition: CHS3
Replicates: 2
Raw OD Value: r im 0.6295±0.00183848
Normalized OD Score: sc h 0.9728±0.00055157
Z-Score: -1.2604±0.0058529
p-Value: 0.207526
Z-Factor: -1.57429
Fitness Defect: 1.5725
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-06-20 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00054
Plate DMSO Control (-):0.6382±0.01566
Plate Z-Factor:0.9165
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DBLink | Rows returned: 1
3806 5-hydroxynaphthalene-1,4-dione

internal high similarity DBLink | Rows returned: 0

active | Cluster 7565 | Additional Members: 10 | Rows returned: 5
SPE01505129 0.475
SPE00300545 0.35
LAT015F08 0.333333333333333
SPE00211468 0
LAT005A05 0

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