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Compound InformationSONAR Target prediction
Name:

HEXAMETHYLQUERCETAGETIN

Unique Identifier:SPE01505383
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H22O8
Molecular Weight:380.22 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COc1ccc(cc1OC)C1Oc2cc(OC)c(OC)c(OC)c2C(=O)C=1OC
Class:flavone
Source:Citrus spp
Reference:Phytochemistry 11:2283 (1972)

Found: 104 nonactive as graph: single | with analogs [1] << Back 101 102 103 104
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 0.9887±0.00360624
Normalized OD Score: sc h 1.0013±0.00188234
Z-Score: 1.3641±0.0527105
p-Value: 0.172833
Z-Factor: -27.2009
Fitness Defect: 1.7554
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:20|H9
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.004125±0.00199
Plate DMSO Control (-):0.995825±0.02520
Plate Z-Factor:0.9107
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7222 | Additional Members: 3 | Rows returned: 2
SPE01600075 0.426229508196721
SPE01505380 0.259259259259259

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