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Compound InformationSONAR Target prediction
Name:

4`-HYDROXYFLAVANONE

Unique Identifier:SPE01500908
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H12O3
Molecular Weight:228.159 g/mol
X log p:16.734  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:Oc1ccc(cc1)C1CC(=O)c2ccccc2O1
Source:semisynthetic analog
Generic_name:4--HYDROXYFLAVANONE
Chemical_iupac_name:2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE
Drug_type:Experimental
Drugbank_id:EXPT01169
Logp:2.56
Drug_category:Chalcone--Flavonone Isomerase 1 inhibitor
Organisms_affected:-1

Found: 78 active | as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 Next >> [78]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.1775±0.0222032
Normalized OD Score: sc h 0.4624±0.0322793
Z-Score: -4.6691±0.0120326
p-Value: 0.00000302708
Z-Factor: 0.412627
Fitness Defect: 12.7079
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|D3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2006-04-25 YYYY-MM-DD
Plate CH Control (+):0.039224999999999996±0.00207
Plate DMSO Control (-):0.39549999999999996±0.02754
Plate Z-Factor:0.7526
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DBLink | Rows returned: 3
165506 2-(4-hydroxyphenyl)chroman-4-one
688859 (2S)-2-(4-hydroxyphenyl)chroman-4-one
688860 (2R)-2-(4-hydroxyphenyl)chroman-4-one

internal high similarity DBLink | Rows returned: 131 2 3 Next >> 
RJC 01638 0.9024
JFD 01216 0.9055
JFD 00171 0.9055
NRB 00919 0.9187
SPE01504154 0.9262
BTB 13942 0.9328

active | Cluster 10088 | Additional Members: 12 | Rows returned: 0
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