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Compound InformationSONAR Target prediction
Name:

PLUMBAGIN

Unique Identifier:SPE01505129
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C11H8O3
Molecular Weight:180.116 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:Cc1cc(=O)c2c(O)cccc2c1=O
Class:quinone
Source:Aristea, Diospyros & Plumbago spp; Dyerophyton, Drosera, Dioncophyllum, Nepenthe,
Sisyrinchiu
Reference:JACS 58:572 (1936); Indian J Chem 6:681 (1968); Fitoterapia 1990:387
Therapeutics:antibacterial, antifungal, tuberculostatic; antifeedant (African army worms)

Found: 103 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [103]
Species: 4932
Condition: ATP4
Replicates: 2
Raw OD Value: r im 0.1018±0.00120208
Normalized OD Score: sc h 0.1629±0.000965255
Z-Score: -31.2245±2.01261
p-Value: 0
Z-Factor: 0.835891
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.60 Celcius
Date:2008-03-06 YYYY-MM-DD
Plate CH Control (+):0.0398±0.00060
Plate DMSO Control (-):0.5992±0.02684
Plate Z-Factor:0.8678
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7565 | Additional Members: 10 | Rows returned: 6
SPE00300038 0.564102564102564
SPE00300545 0.35
LAT015F08 0.333333333333333
LAT005F04 0.290322580645161
SPE00211468 0
LAT005A05 0

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