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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 11 12 13 14 15 16 17 18 19 20  Next >> [110]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.1154±0.00975807
Normalized OD Score: sc h 0.2297±0.00895678
Z-Score: -16.1790±0.111075
p-Value: 0
Z-Factor: 0.750816
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2006-03-24 YYYY-MM-DD
Plate CH Control (+):0.038575±0.00158
Plate DMSO Control (-):0.6911999999999999±0.04114
Plate Z-Factor:0.8104
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DBLink | Rows returned: 1
5280373 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 181 2 3 Next >> 
SPE00201182 0.9015
SPE00240645 0.9077
SPE00211076 0.9084
SPE00201355 0.9154
SPE00201309 0.9213
SPE00201310 0.9219

nonactive | Cluster 14679 | Additional Members: 9 | Rows returned: 6
2188-2624 0.366666666666667
SPE01500726 0.362068965517241
SPE00210296 0.269230769230769
LOPAC 00433 0.269230769230769
SPE10100004 0.245283018867924
SPE00240565 0.235294117647059

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