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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 21 22 23 24 25 26 27 28 29 30  Next >> [88]
Species: 4932
Condition: SPE02300061
Replicates: 2
Raw OD Value: r im 0.5061±0.0449013
Normalized OD Score: sc h 0.8167±0.0193344
Z-Score: -4.5204±0.794326
p-Value: 0.0000378572
Z-Factor: -1.45048
Fitness Defect: 10.1817
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.00 Celcius
Date:2006-11-22 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00255
Plate DMSO Control (-):0.6006±0.14508
Plate Z-Factor:0.4550
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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: 12<< Back 1 2
SPE00310031 0.9820
SPE01502247 0.9878
LOPAC 01176 1.0000
SPE01504065 1.0000
LOPAC 01061 1.0000
XBX 00307 1.0000

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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