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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 2 3 4 5 6 7 8 9 10  Next >> [45]
Species: 4932
Condition: ARF1
Replicates: 2
Raw OD Value: r im 0.5697±0.0046669
Normalized OD Score: sc h 0.8401±0.00511251
Z-Score: -7.7471±0.222166
p-Value: 0.0000000000000173383
Z-Factor: -0.118645
Fitness Defect: 31.6859
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2007-10-02 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00060
Plate DMSO Control (-):0.66265±0.03344
Plate Z-Factor:0.8393
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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: 17<< Back 1 2 3
SPE00210296 0.9835
SPE00201187 0.9835
LOPAC 00433 0.9835
SPE10100003 0.9917
SPE10100004 1.0000

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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