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Compound InformationSONAR Target prediction
Name:

ONONETIN

Unique Identifier:SPE00212097
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:244.158 g/mol
X log p:15.172  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(CC(=O)c2ccc(O)cc2O)cc1
Class:aromatic
Source:Trifolium subterraneum
Reference:Monatsh Chem 63: 201 (1933); Aust J Chem 19: 1755 (1966)

Found: 585 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [585]
Species: 4932
Condition: SPE01504180
Replicates: 2
Raw OD Value: r im 0.6781±0.0173948
Normalized OD Score: sc h 1.0045±0.0156178
Z-Score: 0.2197±0.891562
p-Value: 0.538258
Z-Factor: -8.72767
Fitness Defect: 0.6194
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.038275±0.00169
Plate DMSO Control (-):0.679125±0.03636
Plate Z-Factor:0.8596
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DBLink | Rows returned: 2
253300 2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
259632 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone

internal high similarity DBLink | Rows returned: 3
BTB 12518 0.9016
BTB 12526 0.9839
RJC 00203 1.0000

active | Cluster 16963 | Additional Members: 14 | Rows returned: 5
LAT015C09 0.490566037735849
SPE00100616 0.462962962962963
LAT016D06 0.444444444444444
LAT017D07 0.32
LAT017H02 0.24

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