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Compound InformationSONAR Target prediction
Name:

PRUNETIN

Unique Identifier:SPE01500726
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H12O5
Molecular Weight:272.168 g/mol
X log p:15.09  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:COc1cc(O)c2C(=O)C(=COc2c1)c1ccc(O)cc1
Source:ex Prunus spp

Found: 45 active | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [45]
Species: 4932
Condition: SAM2
Replicates: 2
Raw OD Value: r im 0.5535±0.0109602
Normalized OD Score: sc h 0.8417±0.00284451
Z-Score: -8.0218±0.00939522
p-Value: 0.00000000000000104325
Z-Factor: 0.16565
Fitness Defect: 34.4964
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2007-09-21 YYYY-MM-DD
Plate CH Control (+):0.039925±0.00095
Plate DMSO Control (-):0.644075±0.02619
Plate Z-Factor:0.8537
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DBLink | Rows returned: 2
5281804 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
5386259 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 171 2 3 Next >> 
SPE00201355 0.9084
SPE00201309 0.9141
SPE00240645 0.9154
SPE00211076 0.9160
SPE00201310 0.9297
BTB 12551 0.9339

nonactive | Cluster 14679 | Additional Members: 9 | Rows returned: 6
2188-2624 0.366666666666667
SPE00210296 0.269230769230769
LOPAC 00433 0.269230769230769
SPE10100004 0.245283018867924
SPE00240565 0.235294117647059
SPE10100003 0

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