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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: 6 nonactive | as graph: single | with analogs << Back 1 2 3 4 5 6 Next >> 
Species: 4932
Condition: BY4741-3rd
Replicates: 2
Raw OD Value: r im 0.1526±0.247487
Normalized OD Score: sc h 0.7722±0.256652
Z-Score: -13.3634±16.6305
p-Value: 0.05438
Z-Factor: -2.59688
Fitness Defect: 2.9118
Bioactivity Statement: Outlier
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.30 Celcius
Date:2007-09-25 YYYY-MM-DD
Plate CH Control (+):0.03995±0.00044
Plate DMSO Control (-):0.6658±0.12138
Plate Z-Factor:0.3924
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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

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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