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Compound InformationSONAR Target prediction
Name:

BIOCHANIN A

Unique Identifier:SPE10100003
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:COc1ccc(cc1)C1=COc2cc(O)cc(O)c2C1=O
Source:widely distributed in Leguminosae
Reference:J Chem soc 1953: 1852
Therapeutics:phytoestrogen

Found: 110 active | as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110 Next >> [110]
Species: 4932
Condition: TUB3
Replicates: 2
Raw OD Value: r im 0.3053±0.02786
Normalized OD Score: sc h 0.4485±0.0379446
Z-Score: -32.8759±3.00495
p-Value: 0
Z-Factor: -0.249976
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2007-10-12 YYYY-MM-DD
Plate CH Control (+):0.03995±0.00316
Plate DMSO Control (-):0.6746000000000001±0.12048
Plate Z-Factor:0.3922
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DBLink | Rows returned: 1
5280373 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 18<< Back 1 2 3
SPE00102007 0.9833
SPE00240565 0.9833
SPE00210296 0.9917
LOPAC 00433 0.9917
SPE01500726 0.9917
SPE10100004 0.9917

active | Cluster 14679 | Additional Members: 9 | Rows returned: 4
SPE01500726 0.362068965517241
SPE00210296 0.269230769230769
SPE10100004 0.245283018867924
SPE00240565 0.235294117647059

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