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Compound InformationSONAR Target prediction
Name:

Morin

Unique Identifier:LOPAC 01047
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H10O7
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:Cell Stress
Action:Inhibitor
Selectivity:Antioxidant

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.6012±0.0226981
Normalized OD Score: sc h 0.9395±0.000867043
Z-Score: -1.6591±0.155615
p-Value: 0.099118
Z-Factor: -0.971694
Fitness Defect: 2.3114
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-11-15 YYYY-MM-DD
Plate CH Control (+):0.038925±0.02430
Plate DMSO Control (-):0.667825±0.02097
Plate Z-Factor:0.6217
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DBLink | Rows returned: 72 Next >> 
3365422 calcium [2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxoniumylidene-chromen-5-yl]oxidanium
5281670 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one
5478571 3,7-dihydroxy-2-(4-hydroxy-2-oxido-phenyl)-4-oxo-chromen-5-olate; titanium(+4) cation
5841189 [5-oxonio-2-(3,5,7-trihydroxy-4-oxo-chromen-2-yl)phenyl]oxidanium; titanium
6711742 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one; titanium
11980426 3,7-dihydroxy-2-(4-hydroxy-2-oxido-phenyl)-4-oxoniumylidene-chromen-5-olate; titanium

internal high similarity DBLink | Rows returned: 9<< Back 1 2
NRB 00325 0.9187
SPE01504130 0.9202
SPE01502259 1.0000

active | Cluster 10732 | Additional Members: 22 | Rows returned: 82 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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