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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 21 22 23 24 25 26 27 28 29 30  Next >> [103]
Species: 4932
Condition: GBP2
Replicates: 2
Raw OD Value: r im 0.0391±0
Normalized OD Score: sc h 0.0530±0.000455698
Z-Score: -41.4627±0.880304
p-Value: 0
Z-Factor: 0.892489
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2008-03-26 YYYY-MM-DD
Plate CH Control (+):0.0405±0.00042
Plate DMSO Control (-):0.7037249999999999±0.02341
Plate Z-Factor:0.9006
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 7565 | Additional Members: 10 | Rows returned: 5
SPE00300038 0.564102564102564
SPE00300545 0.35
LAT015F08 0.333333333333333
SPE00211468 0
LAT005A05 0

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