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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: 97 nonactive | as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 Next >> [97]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7740±0.0424264
Normalized OD Score: sc h 0.9965±0.0119162
Z-Score: -0.0919±0.324038
p-Value: 0.819518
Z-Factor: -7.67404
Fitness Defect: 0.199
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:17|C8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.097±0.00475
Plate DMSO Control (-):0.9205±0.02041
Plate Z-Factor:0.8930
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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: 92 Next >> 
SPE01600075 0.9305
SPE01502247 0.9310
LOPAC 01061 0.9425
LOPAC 01176 0.9425
SPE01500672 0.9425
SPE01504065 0.9425

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

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