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Compound InformationSONAR Target prediction
Name:

Quercetin Dihydrate

Unique Identifier:LAT007F04
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H14O9
Molecular Weight:328.187 g/mol
X log p:11.519  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:1
Canonical Smiles:O.O.Oc1cc(O)c2C(=O)C(O)=C(Oc2c1)c1ccc(O)c(O)c1
Generic_name:2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDR
Chemical_iupac_name:3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
Drug_type:Experimental
Drugbank_id:EXPT02265
Drug_category:Phosphatidylinositol 3-Kinase Catalytic Subu inhibitor
Organisms_affected:-1

Found: 5 nonactive as graph: single | with analogs 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6189±0.021496
Normalized OD Score: sc h 0.9602±0.00547665
Z-Score: -0.9805±0.0763789
p-Value: 0.327536
Z-Factor: -0.689716
Fitness Defect: 1.1162
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:7|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00225
Plate DMSO Control (-):0.6298250000000001±0.01052
Plate Z-Factor:0.9414
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DBLink | Rows returned: 4
5280343 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one
5281672 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
5284452 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one dihydrate
11563322 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one;
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 92 Next >> 
BIOMOL 286 1.0000
BIOMOL 358 1.0000
LOPAC 01061 1.0000
LOPAC 01176 1.0000
Prest342 1.0000
Prest541 1.0000

active | Cluster 10732 | Additional Members: 22 | Rows returned: 8<< Back 1 2
Prest541 0
SPE01500672 0

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