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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 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: ARX1
Replicates: 2
Raw OD Value: r im 0.6482±0.0039598
Normalized OD Score: sc h 0.9771±0.0025429
Z-Score: -1.1258±0.0296525
p-Value: 0.260332
Z-Factor: -11.3336
Fitness Defect: 1.3458
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2007-10-11 YYYY-MM-DD
Plate CH Control (+):0.040124999999999994±0.00055
Plate DMSO Control (-):0.660525±0.19182
Plate Z-Factor:-0.0514
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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: 202 3 4 Next >> 
SPE01504002 0.9054
SPE01400010 0.9060
BTB 14489 0.9155
SPE01504115 0.9195
LOPAC 01016 0.9195
JFD 02380 0.9257

nonactive | Cluster 4262 | Additional Members: 9 | Rows returned: 4
SPE01500739 0.454545454545455
SPE01501197 0.431372549019608
SPE01500738 0.388888888888889
SPE00211227 0.133333333333333

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