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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: 535 nonactive | as graph: single | with analogs [1] << Back 531 532 533 534 535
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.6916±0.00905097
Normalized OD Score: sc h 0.9933±0.0134475
Z-Score: -0.2150±0.440896
p-Value: 0.760638
Z-Factor: -10.1383
Fitness Defect: 0.2736
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.80 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.040900000000000006±0.00118
Plate DMSO Control (-):0.661775±0.02286
Plate Z-Factor:0.8719
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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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