Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

Quercetine dihydrate

Unique Identifier:Prest541
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H14O9
Molecular Weight:324.155 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: 1 active | as graph: single | with analogs
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 10717.0000±0
Normalized OD Score: sc h 0.6070±0
Z-Score: -10.9327±0
p-Value: 8.0448e-28
Z-Factor: 0.0758659
Fitness Defect: 62.3874
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|C8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.10 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18050±2247.77104
Plate DMSO Control (-):18225±2038.51752
Plate Z-Factor:-32.1903
png
ps
pdf

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: 0

active | Cluster 10732 | Additional Members: 22 | Rows returned: 7<< Back 1 2
SPE01500672 0

Service provided by the Mike Tyers Laboratory