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Compound InformationSONAR Target prediction
Name:

4,4--DIMETHOXYDALBERGIONE

Unique Identifier:SPE00201448
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:268.18 g/mol
X log p:14.879  (online calculus)
Lipinksi Failures1
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:COc1ccc(cc1)C(C=C)c1cc(=O)c(OC)cc1=O
Class:quinone
Source:Dalbergia nigra
Reference:Tetrahedron 21: 2683 (1965)

Found: 113 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [113]
Species: 4932
Condition: SPE01502260
Replicates: 2
Raw OD Value: r im 0.0651±0
Normalized OD Score: sc h 0.1916±0
Z-Score: -13.0975±0
p-Value: 3.40088e-39
Z-Factor: 0.839592
Fitness Defect: 88.5768
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|C4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04065±0.00109
Plate DMSO Control (-):0.33975±0.01459
Plate Z-Factor:0.8418
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2012 | Additional Members: 3 | Rows returned: 2
SPE00200798 0.24
SPE00201092 0.234042553191489

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