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Compound InformationSONAR Target prediction
Name:

ALPINETIN METHYL ETHER

Unique Identifier:SPE01500733
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H16O4
Molecular Weight:268.18 g/mol
X log p:15.422  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1cc(OC)c2C(=O)CC(Oc2c1)c1ccccc1
Source:ex Eucalyptus spp

Found: 114 nonactive as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [114]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.9880±0
Normalized OD Score: sc h 0.9585±0
Z-Score: -2.3253±0
p-Value: 0.0200544
Z-Factor: -0.800868
Fitness Defect: 3.9093
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:18|B8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.0915±0.01253
Plate DMSO Control (-):1.0025±0.02263
Plate Z-Factor:0.8842
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DBLink | Rows returned: 3
378567 5,7-dimethoxy-2-phenyl-chroman-4-one
689011 (2S)-5,7-dimethoxy-2-phenyl-chroman-4-one
689012 (2R)-5,7-dimethoxy-2-phenyl-chroman-4-one

internal high similarity DBLink | Rows returned: 112 Next >> 
JFD 00170 0.9055
BTB 12807 0.9104
SPE00310012 0.9104
JFD 00173 0.9167
JFD 00172 0.9440
SPE01500746 0.9449

active | Cluster 815 | Additional Members: 5 | Rows returned: 0

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