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Compound InformationSONAR Target prediction
Name:

beta-TOXICAROL

Unique Identifier:SPE00203010
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H22O7
Molecular Weight:388.242 g/mol
X log p:11.447  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:2
Canonical Smiles:COc1cc2OCC3Oc4cc5OC(C)(C)C=Cc5c(O)c4C(=O)C3c2cc1OC
Source:ex Derris species & isomeration of alpha-toxicarol
Reference:J Chem Soc 1938: 513,734; 1939: 812

Found: 2 active | as graph: single | with analogs 1 2 Next >> 
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.6581±0.0607405
Normalized OD Score: sc h 1.3008±0.00485346
Z-Score: 6.3379±0.436284
p-Value: 0.000000000837646
Z-Factor: 0.58208
Fitness Defect: 20.9004
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.039125±0.00116
Plate DMSO Control (-):0.66885±0.02433
Plate Z-Factor:0.8784
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DBLink | Rows returned: 2
120627
3952178

internal high similarity DBLink | Rows returned: 2
SPE00201138 0.9752
SPE00211224 0.9851

nonactive | Cluster 3220 | Additional Members: 18 | Rows returned: 14<< Back 1 2 3 Next >> 
SPE00200851 0.425
SPE00201153 0.351351351351351
LAT001C04 0.315068493150685
SPE00201449 0.315068493150685
LAT001E04 0
LAT004F05 0

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