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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: 2 active | as graph: single | with analogs 2 Next >> 
Species: 4932
Condition: KRE1
Replicates: 2
Raw OD Value: r im 0.5605±0.0128693
Normalized OD Score: sc h 0.8983±0.00799589
Z-Score: -4.3384±0.185777
p-Value: 0.0000168522
Z-Factor: 0.111573
Fitness Defect: 10.991
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:10|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-11-22 YYYY-MM-DD
Plate CH Control (+):0.0388±0.00411
Plate DMSO Control (-):0.616575±0.01314
Plate Z-Factor:0.9242
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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: 7<< Back 1 2
SPE01500672 0

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