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Compound InformationSONAR Target prediction
Name:

4-METHOXYDALBERGIONE

Unique Identifier:SPE00201092
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:240.169 g/mol
X log p:16.544  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:COc1cc(=O)c(cc1=O)C(C=C)c1ccccc1
Class:quinone
Source:Dalbergia retusa and D. nigra
Reference:Phytochemistry 17: 1395 (1978); Tetrahedron 21: 2683 (1965)

Found: 187 active | as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [187]
Species: 4932
Condition: PRE9
Replicates: 2
Raw OD Value: r im 0.5313±0.0156271
Normalized OD Score: sc h 0.8641±0.00829886
Z-Score: -5.1691±0.380523
p-Value: 0.000000506026
Z-Factor: 0.061112
Fitness Defect: 14.4967
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2007-10-04 YYYY-MM-DD
Plate CH Control (+):0.0397±0.00092
Plate DMSO Control (-):0.6129±0.01997
Plate Z-Factor:0.8750
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DBLink | Rows returned: 1
99926 2-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2012 | Additional Members: 3 | Rows returned: 2
SPE00200798 0.24
SPE00201448 0

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