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Compound InformationSONAR Target prediction
Name:

NARINGENIN

Unique Identifier:SPE01500746
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:260.158 g/mol
X log p:12.698  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1
Class:flavan
Source:widely distributed in plants
Therapeutics:antiulcer, gibberellin antagonist
Generic_name:NARINGENIN
Chemical_iupac_name:NARINGENIN
Drug_type:Experimental
Kegg_compound_id:C00509
Drugbank_id:EXPT02295
Logp:2.211
Cas_registry_number:480-41-1
Drug_category:Chalcone-Flavonone Isomerase 1 inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: SWC5
Replicates: 2
Raw OD Value: r im 0.6472±0.00615183
Normalized OD Score: sc h 0.9723±0.00115927
Z-Score: -1.2594±0.167379
p-Value: 0.211064
Z-Factor: -2.53342
Fitness Defect: 1.5556
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-06-19 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00109
Plate DMSO Control (-):0.644575±0.01721
Plate Z-Factor:0.9132
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DBLink | Rows returned: 3
932 5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
439246 (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
667495 (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one

internal high similarity DBLink | Rows returned: 131 2 3 Next >> 
BTB 13717 0.9098
SPE00200343 0.9098
JFD 00170 0.9274
RJC 01638 0.9280
SPE00310012 0.9313
BTB 12807 0.9313

active | Cluster 14672 | Additional Members: 12 | Rows returned: 1
SPE01504154 0.416666666666667

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