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Compound InformationSONAR Target prediction
Name:

3,4-DIMETHOXYDALBERGIONE

Unique Identifier:SPE00240828
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:COc1c(=O)cc(C(C=C)c2ccccc2)c(=O)c1OC
Class:quinone
Source:Dalbergia spp, Machaerium spp
Reference:Tetrahedron 21: 2697 (9165)
Therapeutics:induces dermatitis

Found: 143 active | as graph: single | with analogs [1] << Back 141 142 143
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 0.7281±0.0418607
Normalized OD Score: sc h 0.7156±0.0391968
Z-Score: -7.3521±1.49154
p-Value: 0.000000000151294
Z-Factor: 0.19681
Fitness Defect: 22.6118
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:16|G6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):-0.00025±0.00199
Plate DMSO Control (-):1.00045±0.03683
Plate Z-Factor:0.8780
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DBLink | Rows returned: 1
115019 2,3-dimethoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexa-2,5-diene-1,4-dione

internal high similarity DBLink | Rows returned: 0

active | Cluster 9726 | Additional Members: 2 | Rows returned: 1
SPE00201281 0

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