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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 << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr24h
Replicates: 2
Raw OD Value: r im 0.6759±0.0113844
Normalized OD Score: sc h 0.9608±0.0207025
Z-Score: -1.5983±0.945798
p-Value: 0.188002
Z-Factor: -2.56521
Fitness Defect: 1.6713
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:7|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00244
Plate DMSO Control (-):0.6669±0.01885
Plate Z-Factor:0.9126
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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: 9<< Back 1 2
SPE01500672 1.0000
SPE01504065 1.0000
XBX 00307 1.0000

active | Cluster 10732 | Additional Members: 22 | Rows returned: 82 Next >> 
RJC 00213 0.508196721311475
SPE01505143 0.464285714285714
SPE01502259 0.421052631578947
Prest342 0.326923076923077
LOPAC 01061 0.326923076923077
Prest1133 0.224489795918367

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