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Compound InformationSONAR Target prediction
Name:

Myricetin

Unique Identifier:LOPAC 01061
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H10O8
Molecular Weight:308.156 g/mol
X log p:9.93  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:1
Canonical Smiles:Oc1cc(O)c2C(=O)C(O)=C(Oc2c1)c1cc(O)c(O)c(O)c1
Class:Phosphorylation
Action:Inhibitor
Selectivity:Casein Kinase II
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: 22 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [22]
Species: 4932
Condition: NOP13
Replicates: 2
Raw OD Value: r im 0.6841±0.000212132
Normalized OD Score: sc h 0.9993±0.00311918
Z-Score: -0.0418±0.151804
p-Value: 0.914592
Z-Factor: -11.5048
Fitness Defect: 0.0893
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-22 YYYY-MM-DD
Plate CH Control (+):0.0465±0.00178
Plate DMSO Control (-):0.672875±0.02898
Plate Z-Factor:0.8527
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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

active | Cluster 10732 | Additional Members: 22 | Rows returned: 72 Next >> 
RJC 00213 0.508196721311475
SPE01505143 0.464285714285714
SPE01502259 0.421052631578947
Prest342 0.326923076923077
Prest1133 0.224489795918367
Prest541 0

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