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Compound InformationSONAR Target prediction
Name:

Quercetin dihydrate

Unique Identifier:LOPAC 01176
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H10O7
Molecular Weight:292.156 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:Oc1cc(O)c2C(=O)C(O)=C(Oc2c1)c1ccc(O)c(O)c1
Class:Cyclic Nucleotides
Action:Inhibitor
Selectivity:PDE
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: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.8141±0.0185969
Normalized OD Score: sc h 0.9907±0.0132083
Z-Score: -0.7575±1.07553
p-Value: 0.563308
Z-Factor: -6.34544
Fitness Defect: 0.5739
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:13|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2005-12-07 YYYY-MM-DD
Plate CH Control (+):0.171075±0.19517
Plate DMSO Control (-):0.8003±0.01034
Plate Z-Factor:0.9382
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DBLink | Rows returned: 3
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

internal high similarity DBLink | Rows returned: 142 3 Next >> 
SPE01502259 0.9012
LOPAC 01016 0.9026
JFD 00160 0.9038
LOPAC 01047 0.9080
SPE01504130 0.9146
NRB 00325 0.9363

nonactive | Cluster 10732 | Additional Members: 22 | Rows returned: 82 Next >> 
SPE01505143 0.464285714285714
LOPAC 01047 0.421052631578947
SPE01502259 0.421052631578947
SPE01504065 0.326923076923077
LOPAC 01061 0.326923076923077
LAT007F04 0

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