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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 31 32 33 34 35 36 37 38 39 40  Next >> [187]
Species: 4932
Condition: SPE00100676
Replicates: 2
Raw OD Value: r im 0.3821±0.0362746
Normalized OD Score: sc h 0.7825±0.0590351
Z-Score: -4.5868±0.303416
p-Value: 0.00000693782
Z-Factor: -0.27524
Fitness Defect: 11.8785
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.00 Celcius
Date:2006-12-14 YYYY-MM-DD
Plate CH Control (+):0.03795±0.00145
Plate DMSO Control (-):0.48875±0.01719
Plate Z-Factor:0.8872
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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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