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Compound InformationSONAR Target prediction
Name:

BAICALEIN

Unique Identifier:SPE01504002
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:260.158 g/mol
X log p:15.555  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:Oc1cc2OC(=CC(=O)c2c(O)c1O)c1ccccc1
Class:flavone
Source:Scutellaria baicalensis
Reference:Gazz Chim acta 49 (II): 47 (1919); Acta Phytochim 1: 109 (1923); Phytochemistry 10:
3298 (1971)
Therapeutics:antiviral (HIV)

Found: 201 active | as graph: single | with analogs [1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [201]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.0995±0.00558614
Normalized OD Score: sc h 0.1526±0.00711056
Z-Score: -13.6714±0.560765
p-Value: 1.61984e-40
Z-Factor: 0.831677
Fitness Defect: 91.6211
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.0392±0.00106
Plate DMSO Control (-):0.621825±0.02492
Plate Z-Factor:0.8602
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DBLink | Rows returned: 2
5281605 5,6,7-trihydroxy-2-phenyl-chromen-4-one
5702782 5,6,7-trihydroxy-2-phenyl-chromen-4-one hydrate

internal high similarity DBLink | Rows returned: 162 3 Next >> 
SPE01504068 0.9007
JFD 02797 0.9054
SPE00300384 0.9054
BTB 14494 0.9091
JFD 02324 0.9097
JFD 00149 0.9103

nonactive | Cluster 13173 | Additional Members: 13 | Rows returned: 4
SPE01505136 0.48
SPE01500718 0.41304347826087
SPE01500719 0.361702127659574
SPE01500721 0.195121951219512

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