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Compound InformationSONAR Target prediction
Name:

alpha-TOXICAROL

Unique Identifier:SPE00211224
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:COc1cc2OCC3Oc4c5C=CC(C)(C)Oc5cc(O)c4C(=O)C3c2cc1OC
Source:ex Derris spp
Reference:J Chem Soc 1938: 513

Found: 26 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [26]
Species: 4932
Condition: SPE00307050
Replicates: 2
Raw OD Value: r im 0.1319±0
Normalized OD Score: sc h 0.3744±0
Z-Score: -13.7954±0
p-Value: 2.71852e-43
Z-Factor: 0.878291
Fitness Defect: 98.0111
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|E3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2006-08-17 YYYY-MM-DD
Plate CH Control (+):0.04065±0.00251
Plate DMSO Control (-):0.35225±0.00896
Plate Z-Factor:0.8897
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DBLink | Rows returned: 4
120626
183156
243723
442826

internal high similarity DBLink | Rows returned: 2
SPE00203010 0.9851
SPE00201138 0.9901

nonactive | Cluster 3220 | Additional Members: 18 | Rows returned: 141 2 3 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00211231 0.511904761904762
SPE00200015 0.48780487804878
SPE00240590 0.444444444444444
SPE00201138 0.4375

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