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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 11 12 13 14 15 16 17 18 19 20  Next >> [201]
Species: 4932
Condition: DOA4
Replicates: 2
Raw OD Value: r im 0.0850±0.0189505
Normalized OD Score: sc h 0.1267±0.0288585
Z-Score: -34.6476±0.242577
p-Value: 0
Z-Factor: 0.746971
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:1|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-05-02 YYYY-MM-DD
Plate CH Control (+):0.040374999999999994±0.00229
Plate DMSO Control (-):0.6373±0.02883
Plate Z-Factor:0.8926
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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: 16<< Back 1 2 3
LOPAC 00653 0.9371
JFD 02379 0.9371
SPE00201315 0.9514
SPE01500709 0.9571

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

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