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Compound InformationSONAR Target prediction
Name:

QUERCETIN TETRAMETHYL (5,7,3-,4-) ETHER

Unique Identifier:SPE00300538
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:340.199 g/mol
X log p:12.502  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:5
Canonical Smiles:COc1cc(OC)c2C(=O)C(O)=C(Oc2c1)c1ccc(OC)c(OC)c1
Class:flavone
Source:Sterculia foetida

Found: 131 active | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [131]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.5557±0.0079196
Normalized OD Score: sc h 0.7696±0.00852029
Z-Score: -12.4010±0.841462
p-Value: 1.81771e-32
Z-Factor: 0.537827
Fitness Defect: 73.0851
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2007-11-23 YYYY-MM-DD
Plate CH Control (+):0.0401±0.00078
Plate DMSO Control (-):0.708825±0.01895
Plate Z-Factor:0.9119
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DBLink | Rows returned: 1
97142 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-chromen-4-one

internal high similarity DBLink | Rows returned: 9<< Back 1 2
XBX 00307 0.9425
SPE00310031 0.9598
SPE01500732 0.9770

active | Cluster 6267 | Additional Members: 3 | Rows returned: 1
SPE00310031 0

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