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Compound InformationSONAR Target prediction
Name:

MORIN

Unique Identifier:SPE01502259
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:292.156 g/mol
X log p:11.09  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:1
Canonical Smiles:Oc1ccc(c(O)c1)C1Oc2cc(O)cc(O)c2C(=O)C=1O
Class:flavone
Source:Chlorophora tinctoria
Reference:J Chem Soc 67: 649 (1895)
Therapeutics:P450 and ATPase inhibitor

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: DOA4
Replicates: 2
Raw OD Value: r im 0.5718±0.00799031
Normalized OD Score: sc h 0.8571±0.000112823
Z-Score: -5.6700±0.146198
p-Value: 0.0000000168706
Z-Factor: 0.142594
Fitness Defect: 17.8977
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2008-05-02 YYYY-MM-DD
Plate CH Control (+):0.041124999999999995±0.00157
Plate DMSO Control (-):0.63785±0.02487
Plate Z-Factor:0.8492
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DBLink | Rows returned: 7<< Back 1 2
15976528 calcium 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-olate

internal high similarity DBLink | Rows returned: 81 2 Next >> 
LOPAC 01061 0.9012
LOPAC 01176 0.9012
SPE01500672 0.9012
SPE01504065 0.9012
XBX 00307 0.9012
SPE01504130 0.9202

active | Cluster 10732 | Additional Members: 22 | Rows returned: 71 2 Next >> 
RJC 00213 0.508196721311475
SPE01505143 0.464285714285714
Prest342 0.326923076923077
LOPAC 01061 0.326923076923077
Prest1133 0.224489795918367
Prest541 0

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