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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 91 92 93 94 95 96 97 98 99 100  Next >> [201]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.5990±0.0233345
Normalized OD Score: sc h 0.8570±0.0274374
Z-Score: -7.7819±1.6079
p-Value: 0.0000000000151669
Z-Factor: -4.42149
Fitness Defect: 24.9119
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.042675000000000005±0.00105
Plate DMSO Control (-):0.6789499999999999±0.12308
Plate Z-Factor:0.3957
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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

active | Cluster 13173 | Additional Members: 13 | Rows returned: 2
SPE01505136 0.48
SPE01500718 0.41304347826087

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