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Compound InformationSONAR Target prediction
Name:

QUERCETIN

Unique Identifier:SPE01500672
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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:flavone
Source:Solanaceae, Rhamnaceae, Passifloraceae, Umbelliferae genera
Reference:Chem Ber 103:3674 (1970); Experientia 28:380 (1972); Phytochemistry 12:1787 (1973);
IARC Monog 31:213 Suppl 7:71 (1983); Antiviral Res 12:99 (1989)
Therapeutics:capillary protectant, antioxidant. antineoplastic, anti-HIV; LD50(mouse) 159 mg/kg
po
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: 88 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [88]
Species: 4932
Condition: SPE01500521
Replicates: 2
Raw OD Value: r im 0.3902±0.0598212
Normalized OD Score: sc h 6.2348±0.5065
Z-Score: 85.7579±11.7689
p-Value: 0
Z-Factor: -11.5019
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2007-01-04 YYYY-MM-DD
Plate CH Control (+):0.050075±0.00107
Plate DMSO Control (-):0.06365±0.31592
Plate Z-Factor:-2.6337
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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: 122 Next >> 
LOPAC 01047 0.9012
SPE01502259 0.9012
SPE01504130 0.9146
NRB 00325 0.9162
SPE01500732 0.9419
SPE00300538 0.9425

active | Cluster 10732 | Additional Members: 22 | Rows returned: 72 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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