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Compound InformationSONAR Target prediction
Name:

5,7,4`-TRIMETHOXYFLAVONE

Unique Identifier:SPE00300384
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H16O5
Molecular Weight:296.19 g/mol
X log p:15.756  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(cc1)C1Oc2cc(OC)cc(OC)c2C(=O)C=1
Source:ex Cassia siamia, Citrus reticulata
Reference:Phytochemistry 22: 625 (1983)

Found: 101 nonactive as graph: single | with analogs [1] << Back 101
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.6749±0.00275772
Normalized OD Score: sc h 1.0063±0.0106133
Z-Score: 0.2200±0.367162
p-Value: 0.799946
Z-Factor: -66.611
Fitness Defect: 0.2232
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00119
Plate DMSO Control (-):0.6433249999999999±0.02483
Plate Z-Factor:0.8555
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DBLink | Rows returned: 3
79730 5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
161172 2-(4-hydroxyphenyl)-5,7-dimethoxy-chromen-4-one
6728945 7-hydroxy-5-methoxy-2-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 20<< Back 1 2 3 4 Next >> 
SPE01504068 0.9267
SPE00240958 0.9296
BTB 10082 0.9296
BTB 14494 0.9366
SPE01500709 0.9437
BTB 13710 0.9507

active | Cluster 4262 | Additional Members: 9 | Rows returned: 3
SPE01500739 0.454545454545455
SPE01501197 0.431372549019608
SPE01500738 0.388888888888889

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