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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 571 572 573 574 575 576 577 578 579 580  Next >> [585]
Species: 4932
Condition: BY4741
Replicates: 2
Raw OD Value: r im 0.7390±0.0306177
Normalized OD Score: sc h 0.9400±0.0196546
Z-Score: -2.0700±0.930953
p-Value: 0.0822074
Z-Factor: -1.59606
Fitness Defect: 2.4985
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:17|G11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09499999999999999±0.00538
Plate DMSO Control (-):0.9499999999999998±0.02054
Plate Z-Factor:0.9179
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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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