Home | Screening data | Screen comparisons | Search for compounds | Structure search

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: 98 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [98]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6336±0.0186676
Normalized OD Score: sc h 0.9671±0.00713342
Z-Score: -1.7699±0.312313
p-Value: 0.0839384
Z-Factor: -1.50557
Fitness Defect: 2.4777
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.04235±0.00174
Plate DMSO Control (-):0.6381749999999999±0.01611
Plate Z-Factor:0.9054
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory