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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 21 22 23 24 25 26 Next >> [26]
Species: 4932
Condition: SPE01600652
Replicates: 2
Raw OD Value: r im 0.3089±0.0181019
Normalized OD Score: sc h 0.7229±0.0291786
Z-Score: -4.3631±0.741244
p-Value: 0.0000622922
Z-Factor: -6.80083
Fitness Defect: 9.6837
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:2007-01-19 YYYY-MM-DD
Plate CH Control (+):0.246075±0.01056
Plate DMSO Control (-):0.5136000000000001±1.73023
Plate Z-Factor:0.6590
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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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