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Compound InformationSONAR Target prediction
Name:

BIOCHANIN A, MONOMETHYL ETHER

Unique Identifier:SPE10100004
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H14O5
Molecular Weight:284.179 g/mol
X log p:15.443  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(cc1)C1=COc2cc(OC)cc(O)c2C1=O
Source:derivative of biochanin A

Found: 3 active | as graph: single | with analogs << Back 1 2 3 Next >> 
Species: 4932
Condition: SER1
Replicates: 2
Raw OD Value: r im 0.5059±0.0299813
Normalized OD Score: sc h 0.8720±0.00780738
Z-Score: -4.0288±0.135346
p-Value: 0.0000605026
Z-Factor: -4.93032
Fitness Defect: 9.7128
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.10 Celcius
Date:2007-09-17 YYYY-MM-DD
Plate CH Control (+):0.039525000000000005±0.00046
Plate DMSO Control (-):0.5672250000000001±0.10392
Plate Z-Factor:0.3813
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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

active | Cluster 14679 | Additional Members: 9 | Rows returned: 4
SPE01500726 0.362068965517241
SPE00210296 0.269230769230769
SPE00240565 0.235294117647059
SPE10100003 0

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