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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: 443 nonactive | as graph: single | with analogs [1] << Back 261 262 263 264 265 266 267 268 269 270  Next >> [443]
Species: 4932
Condition: SPE00200054
Replicates: 2
Raw OD Value: r im 0.6187±0.00417193
Normalized OD Score: sc h 0.9771±0.0299447
Z-Score: -0.6119±0.807511
p-Value: 0.60213
Z-Factor: -3.27575
Fitness Defect: 0.5073
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-11-22 YYYY-MM-DD
Plate CH Control (+):0.041400000000000006±0.00596
Plate DMSO Control (-):0.6675499999999999±0.11623
Plate Z-Factor:0.7956
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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

active | Cluster 2012 | Additional Members: 3 | Rows returned: 1
SPE00201448 0

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